3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

C34H44N10 — CID 157195296

IUPAC3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCC1CCCC1.CN1CCC(n2cnc3ncccc32)C1.c1cnc2c(c1)ncn2C1CCCC1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C11H14N4.C11H13N3.C6H5N3.C6H12/c1-14-6-4-9(7-14)15-8-13-11-10(15)3-2-5-12-11;1-2-5-9(4-1)14-8-13-10-6-3-7-12-11(10)14;1-2-5-6(7-3-1)9-4-8-5;1-6-4-2-3-5-6/h2-3,5,8-9H,4,6-7H2,1H3;3,6-9H,1-2,4-5H2;1-4H,(H,7,8,9);6H,2-5H2,1H3
InChIKeyAQEFXMXEJBHFOQ-UHFFFAOYSA-N
MW592.80 g/mol
LogP7.01
Rot. Bonds2

About 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 157195296) has the molecular formula C34H44N10 and a molecular weight of 592.80 g/mol. Its IUPAC name is 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID157195296
Molecular FormulaC34H44N10
Molecular Weight592.80 g/mol
Exact Mass592.38
IUPAC Name3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCC1CCCC1.CN1CCC(n2cnc3ncccc32)C1.c1cnc2c(c1)ncn2C1CCCC1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C11H14N4.C11H13N3.C6H5N3.C6H12/c1-14-6-4-9(7-14)15-8-13-11-10(15)3-2-5-12-11;1-2-5-9(4-1)14-8-13-10-6-3-7-12-11(10)14;1-2-5-6(7-3-1)9-4-8-5;1-6-4-2-3-5-6/h2-3,5,8-9H,4,6-7H2,1H3;3,6-9H,1-2,4-5H2;1-4H,(H,7,8,9);6H,2-5H2,1H3
InChIKeyAQEFXMXEJBHFOQ-UHFFFAOYSA-N
XLogP7.01
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.80
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
CID 44132585
1-(1-Benzylpiperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973425
2-Methyl-1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339437
1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339438
1-Cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
CID 58395044
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
3-[4-(3,5,8,10-Tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]propanenitrile
CID 58395230
3-[4-(4-Methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]propanenitrile
CID 58395446
3-(cyclopropylmethyl)-N-(5-imidazo[1,2-a]pyrimidin-3-yl-2-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
CID 122688198
1-(8-(2-(1-((1H-imidazol-2-yl)methyl)-4-phenylpiperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-benzo[d]imidazole
CID 44573127
N-cyclopentyl-9-methyl-8-pyridin-3-ylpurin-6-amine
CID 11680901

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (CID 157195296) is 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is CC1CCCC1.CN1CCC(n2cnc3ncccc32)C1.c1cnc2c(c1)ncn2C1CCCC1.c1cnc2nc[nH]c2c1.
What is the InChIKey of 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is AQEFXMXEJBHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.C11H13N3.C6H5N3.C6H12/c1-14-6-4-9(7-14)15-8-13-11-10(15)3-2-5-12-11;1-2-5-9(4-1)14-8-13-10-6-3-7-12-11(10)14;1-2-5-6(7-3-1)9-4-8-5;1-6-4-2-3-5-6/h2-3,5,8-9H,4,6-7H2,1H3;3,6-9H,1-2,4-5H2;1-4H,(H,7,8,9);6H,2-5H2,1H3.
What are the key properties of 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 592.80 g/mol, XLogP of 7.01, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylimidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine;methylcyclopentane;1-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 157195296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).