3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

C31H39N7O3 — CID 56652402

IUPAC3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cccc(C#N)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C31H39N7O3/c1-21(2)34-29(39)23-9-11-25(12-10-23)38-27-18-28(41-16-15-37-13-4-3-5-14-37)33-20-26(27)35-31(38)36-30(40)24-8-6-7-22(17-24)19-32/h6-8,17-18,20-21,23,25H,3-5,9-16H2,1-2H3,(H,34,39)(H,35,36,40)
InChIKeyKIDSMMNJOSIQKG-UHFFFAOYSA-N
MW557.70 g/mol
LogP4.68
Rot. Bonds9

About 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 56652402) has the molecular formula C31H39N7O3 and a molecular weight of 557.70 g/mol. Its IUPAC name is 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID56652402
Molecular FormulaC31H39N7O3
Molecular Weight557.70 g/mol
Exact Mass557.31
IUPAC Name3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cccc(C#N)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C31H39N7O3/c1-21(2)34-29(39)23-9-11-25(12-10-23)38-27-18-28(41-16-15-37-13-4-3-5-14-37)33-20-26(27)35-31(38)36-30(40)24-8-6-7-22(17-24)19-32/h6-8,17-18,20-21,23,25H,3-5,9-16H2,1-2H3,(H,34,39)(H,35,36,40)
InChIKeyKIDSMMNJOSIQKG-UHFFFAOYSA-N
XLogP4.68
TPSA125.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.70
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]-3-(trifluoromethyl)benzamide
CID 56652403
N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 66728651
4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728584
4-fluoro-N-[6-(3-morpholin-4-ylpropoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
CID 66728817
3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 59742876
tert-butyl 4-[4-[2-[(4-fluorobenzoyl)amino]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexanecarbonyl]-3-methylpiperazine-1-carboxylate
CID 66728850
tert-butyl 5-[4-[2-[(3-fluorobenzoyl)amino]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-1-yl]cyclohexanecarbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 66729031
3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane
CID 143413872
3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 143413873
N-[1-[4-(tert-butylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide;N-[1-[4-(diethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide;N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 158004361
N-[1-[3-(3-bromophenyl)-3-carbamoylcyclobutyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
CID 56655157
4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 56650026

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 56652402) is 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3cccc(C#N)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1.
What is the InChIKey of 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is KIDSMMNJOSIQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O3/c1-21(2)34-29(39)23-9-11-25(12-10-23)38-27-18-28(41-16-15-37-13-4-3-5-14-37)33-20-26(27)35-31(38)36-30(40)24-8-6-7-22(17-24)19-32/h6-8,17-18,20-21,23,25H,3-5,9-16H2,1-2H3,(H,34,39)(H,35,36,40).
What are the key properties of 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 557.70 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 56652402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).