(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

C23H26N4O2 — CID 176503873

IUPAC(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCCC1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22(26-12-10-23(29,11-13-26)18-6-2-1-3-7-18)17-14-20-21(24-15-17)27(16-25-20)19-8-4-5-9-19/h1-3,6-7,14-16,19,29H,4-5,8-13H2
InChIKeyXFACDWSRYONNQA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.67
Rot. Bonds3

About (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (PubChem CID 176503873) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
PubChem CID176503873
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCCC1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22(26-12-10-23(29,11-13-26)18-6-2-1-3-7-18)17-14-20-21(24-15-17)27(16-25-20)19-8-4-5-9-19/h1-3,6-7,14-16,19,29H,4-5,8-13H2
InChIKeyXFACDWSRYONNQA-UHFFFAOYSA-N
XLogP3.67
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclopentylimidazo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 175644781
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 176506230
furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
CID 176500253
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 176500396
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 175642980
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176500900
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3245353
[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 176503897
N-[1-(3-chlorophenyl)cyclopropyl]-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500437
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176500860
[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506235

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (CID 176503873) is (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is O=C(c1cnc2c(c1)ncn2C1CCCC1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The InChIKey is XFACDWSRYONNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(26-12-10-23(29,11-13-26)18-6-2-1-3-7-18)17-14-20-21(24-15-17)27(16-25-20)19-8-4-5-9-19/h1-3,6-7,14-16,19,29H,4-5,8-13H2.
What are the key properties of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 176503873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).