1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one

C29H32ClN5O4 — CID 154948555

About 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one

1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one (PubChem CID 154948555) has the molecular formula C29H32ClN5O4 and a molecular weight of 550.06 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one
• PubChem CID: 154948555
• Molecular Formula: C29H32ClN5O4
• Molecular Weight: 550.06 g/mol
• Exact Mass: 549.21
• IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one
• SMILES: COc1ccc(N2C(=O)CCCC2c2nc3cc(-c4c(C)noc4C)cnc3n2C2CCC(O)CC2)cc1Cl
• InChI: InChI=1S/C29H32ClN5O4/c1-16-27(17(2)39-33-16)18-13-23-28(31-15-18)35(19-7-10-21(36)11-8-19)29(32-23)24-5-4-6-26(37)34(24)20-9-12-25(38-3)22(30)14-20/h9,12-15,19,21,24,36H,4-8,10-11H2,1-3H3
• InChIKey: SPOTZNODCMMATA-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 106.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.06
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one?

The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one (CID 154948555) is 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one.

What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one?

The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one is COc1ccc(N2C(=O)CCCC2c2nc3cc(-c4c(C)noc4C)cnc3n2C2CCC(O)CC2)cc1Cl.

What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one?

The InChIKey is SPOTZNODCMMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN5O4/c1-16-27(17(2)39-33-16)18-13-23-28(31-15-18)35(19-7-10-21(36)11-8-19)29(32-23)24-5-4-6-26(37)34(24)20-9-12-25(38-3)22(30)14-20/h9,12-15,19,21,24,36H,4-8,10-11H2,1-3H3.

What are the key properties of 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one?

1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one has a molecular weight of 550.06 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-methoxyphenyl)-6-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxycyclohexyl)imidazo[4,5-b]pyridin-2-yl]piperidin-2-one is sourced from PubChem (CID 154948555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).