[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone

C24H22N4O — CID 20916124

IUPAC[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1)N1CCCCC1
InChIInChI=1S/C24H22N4O/c29-24(27-16-5-2-6-17-27)19-11-13-20(14-12-19)28-22(18-8-3-1-4-9-18)26-21-10-7-15-25-23(21)28/h1,3-4,7-15H,2,5-6,16-17H2
InChIKeyCTYQLKYFOHBAGK-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.71
Rot. Bonds3

About [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone

[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone (PubChem CID 20916124) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone
PubChem CID20916124
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1)N1CCCCC1
InChIInChI=1S/C24H22N4O/c29-24(27-16-5-2-6-17-27)19-11-13-20(14-12-19)28-22(18-8-3-1-4-9-18)26-21-10-7-15-25-23(21)28/h1,3-4,7-15H,2,5-6,16-17H2
InChIKeyCTYQLKYFOHBAGK-UHFFFAOYSA-N
XLogP4.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone (CID 20916124) is [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1)N1CCCCC1.
What is the InChIKey of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is CTYQLKYFOHBAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(27-16-5-2-6-17-27)19-11-13-20(14-12-19)28-22(18-8-3-1-4-9-18)26-21-10-7-15-25-23(21)28/h1,3-4,7-15H,2,5-6,16-17H2.
What are the key properties of [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone?
[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 382.47 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 20916124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).