3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine

C19H19N3O — CID 118723490

IUPAC3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(-c1ccc3c(c1)OCC3)n2C1CCCC1
InChIInChI=1S/C19H19N3O/c1-2-5-15(4-1)22-18(21-16-6-3-10-20-19(16)22)14-8-7-13-9-11-23-17(13)12-14/h3,6-8,10,12,15H,1-2,4-5,9,11H2
InChIKeyPBOHWCAQTUEYAU-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.15
Rot. Bonds2

About 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine

3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine (PubChem CID 118723490) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine
PubChem CID118723490
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(-c1ccc3c(c1)OCC3)n2C1CCCC1
InChIInChI=1S/C19H19N3O/c1-2-5-15(4-1)22-18(21-16-6-3-10-20-19(16)22)14-8-7-13-9-11-23-17(13)12-14/h3,6-8,10,12,15H,1-2,4-5,9,11H2
InChIKeyPBOHWCAQTUEYAU-UHFFFAOYSA-N
XLogP4.15
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
CID 118723086
2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166658
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
CID 104698547
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
2-(3-fluorophenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166582
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 102443349
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-b]pyridine
CID 168926151
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
2-(5-chlorofuran-2-yl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117164183
2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117166710

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine (CID 118723490) is 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(-c1ccc3c(c1)OCC3)n2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine?
The InChIKey is PBOHWCAQTUEYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-5-15(4-1)22-18(21-16-6-3-10-20-19(16)22)14-8-7-13-9-11-23-17(13)12-14/h3,6-8,10,12,15H,1-2,4-5,9,11H2.
What are the key properties of 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine?
3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine has a molecular weight of 305.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 118723490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).