(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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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).