N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

C24H30N6O — CID 176506711

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN1CCN(C2(CNC(=O)c3cnc4c(c3)ncn4-c3ccccc3)CCCC2)CC1
InChIInChI=1S/C24H30N6O/c1-28-11-13-29(14-12-28)24(9-5-6-10-24)17-26-23(31)19-15-21-22(25-16-19)30(18-27-21)20-7-3-2-4-8-20/h2-4,7-8,15-16,18H,5-6,9-14,17H2,1H3,(H,26,31)
InChIKeyYITFDZAPLONXRU-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.71
Rot. Bonds5

About N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506711) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506711
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN1CCN(C2(CNC(=O)c3cnc4c(c3)ncn4-c3ccccc3)CCCC2)CC1
InChIInChI=1S/C24H30N6O/c1-28-11-13-29(14-12-28)24(9-5-6-10-24)17-26-23(31)19-15-21-22(25-16-19)30(18-27-21)20-7-3-2-4-8-20/h2-4,7-8,15-16,18H,5-6,9-14,17H2,1H3,(H,26,31)
InChIKeyYITFDZAPLONXRU-UHFFFAOYSA-N
XLogP2.71
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503484
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948871
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500276
2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
CID 74242211
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide
CID 118793572
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 175641659
N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506033
4-amino-3-ethanimidoyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]benzamide
CID 134567416
3-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 11198589
3,5-dimethoxy-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride;[1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
CID 159010603
N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176502571
6-oxo-1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridazine-3-carboxamide
CID 134005162

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (CID 176506711) is N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is CN1CCN(C2(CNC(=O)c3cnc4c(c3)ncn4-c3ccccc3)CCCC2)CC1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YITFDZAPLONXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-28-11-13-29(14-12-28)24(9-5-6-10-24)17-26-23(31)19-15-21-22(25-16-19)30(18-27-21)20-7-3-2-4-8-20/h2-4,7-8,15-16,18H,5-6,9-14,17H2,1H3,(H,26,31).
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).