1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide

C25H26ClN7O — CID 134426883

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4ncccc4[nH]3)CC2)ncc1Cl
InChIInChI=1S/C25H26ClN7O/c1-16-4-2-9-27-23(16)18-14-22(30-15-19(18)26)33-12-7-17(8-13-33)25(34)29-11-6-21-31-20-5-3-10-28-24(20)32-21/h2-5,9-10,14-15,17H,6-8,11-13H2,1H3,(H,29,34)(H,28,31,32)
InChIKeyLDNNWJVCPXJHEK-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.95
Rot. Bonds6

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 134426883) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID134426883
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4ncccc4[nH]3)CC2)ncc1Cl
InChIInChI=1S/C25H26ClN7O/c1-16-4-2-9-27-23(16)18-14-22(30-15-19(18)26)33-12-7-17(8-13-33)25(34)29-11-6-21-31-20-5-3-10-28-24(20)32-21/h2-5,9-10,14-15,17H,6-8,11-13H2,1H3,(H,29,34)(H,28,31,32)
InChIKeyLDNNWJVCPXJHEK-UHFFFAOYSA-N
XLogP3.95
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67508735
N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide
CID 118075021
2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-1H-imidazo[4,5-b]pyridine
CID 123893986
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56912067
1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 70768987
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-(5-chloro-4-methyl-2-pyridinyl)-N-cyclohexylpiperidine-4-carboxamide
CID 123365638
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 123503570
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide (CID 134426883) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)NCCc3nc4ncccc4[nH]3)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is LDNNWJVCPXJHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-16-4-2-9-27-23(16)18-14-22(30-15-19(18)26)33-12-7-17(8-13-33)25(34)29-11-6-21-31-20-5-3-10-28-24(20)32-21/h2-5,9-10,14-15,17H,6-8,11-13H2,1H3,(H,29,34)(H,28,31,32).
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 134426883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).