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Chemical ID: 5986479

Cc1cccc(c1)n2c(cc(n2)c3cccn3C)C(=O)N(CCC#N)Cc4cccnc4

Chemical ID:

5986479

Name [?]:

N-(2-cyanoethyl)-5-(1-methylpyrrol-2-yl)-2-(m-tolyl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide

SMILES [?]:

Cc1cccc(c1)n2c(cc(n2)c3cccn3C)C(=O)N(CCC#N)Cc4cccnc4

InChi [?]:

InChI=1/C25H24N6O/c1-19-7-3-9-21(15-19)31-24(16-22(28-31)23-10-5-13-29(23)2)25(32)30(14-6-11-26)18-20-8-4-12-27-17-20/h3-5,7-10,12-13,15-17H,6,14,18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,4,29,15,23,3,28,5,14,24,30,16,22,7,10,32,26,2,27,6,11,13,9,19,25,31,12,17,21,8,20/rA:32nCCCCCCCNCCCNCCCCNCCONCCCNCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;s17;s9;d19;s19;s21;s22;s23;t24;s21;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₆O
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1825
Area:	626.381
Solvation:	-4.47704
Coulombic:	-35.4945

Bond Count [?]

All:	35
Single:	23
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.498
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.24
LogP (Chemaxon):	3.0

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value