3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

C17H21N7OS — CID 176506847

IUPAC3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnnc1SCCNC(=O)c1cnc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C17H21N7OS/c1-23-11-21-22-17(23)26-7-6-18-16(25)12-8-14-15(19-9-12)24(10-20-14)13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,18,25)
InChIKeyPDSXHHJBEHFQBU-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.20
Rot. Bonds6

About 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506847) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506847
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnnc1SCCNC(=O)c1cnc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C17H21N7OS/c1-23-11-21-22-17(23)26-7-6-18-16(25)12-8-14-15(19-9-12)24(10-20-14)13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,18,25)
InChIKeyPDSXHHJBEHFQBU-UHFFFAOYSA-N
XLogP2.20
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506597
3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176505473
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176505585
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503947
3-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176500545
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504000
3-cyclopentyl-N-[1-(2-methoxyphenoxy)propan-2-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504062
3-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216
N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501565
N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-3-cyclopentyl-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503136
6-benzamido-3-cyclopentyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzimidazole-4-carboxamide
CID 42272729

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176506847) is 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1cnnc1SCCNC(=O)c1cnc2c(c1)ncn2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is PDSXHHJBEHFQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-23-11-21-22-17(23)26-7-6-18-16(25)12-8-14-15(19-9-12)24(10-20-14)13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,18,25).
What are the key properties of 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).