[7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone

C29H32Cl2N4O2 — CID 155329567

About [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone

[7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone (PubChem CID 155329567) has the molecular formula C29H32Cl2N4O2 and a molecular weight of 539.51 g/mol. Its IUPAC name is [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone.

Molecular Properties

• Compound Name: [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone
• PubChem CID: 155329567
• Molecular Formula: C29H32Cl2N4O2
• Molecular Weight: 539.51 g/mol
• Exact Mass: 538.19
• IUPAC Name: [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone
• SMILES: O=C(c1cc(Cl)cc2c(CC3CCCC(C(O)c4cc(Cl)cc5cncn45)C3)ncn12)C1CCCCC1
• InChI: InChI=1S/C29H32Cl2N4O2/c30-21-11-23-15-32-16-34(23)26(13-21)29(37)20-8-4-5-18(9-20)10-24-25-12-22(31)14-27(35(25)17-33-24)28(36)19-6-2-1-3-7-19/h11-20,29,37H,1-10H2
• InChIKey: IPTFFHORCUIQRI-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 71.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.51
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone?

The IUPAC name of [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone (CID 155329567) is [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone.

What is the SMILES notation for [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone?

The canonical SMILES for [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone is O=C(c1cc(Cl)cc2c(CC3CCCC(C(O)c4cc(Cl)cc5cncn45)C3)ncn12)C1CCCCC1.

What is the InChIKey of [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone?

The InChIKey is IPTFFHORCUIQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N4O2/c30-21-11-23-15-32-16-34(23)26(13-21)29(37)20-8-4-5-18(9-20)10-24-25-12-22(31)14-27(35(25)17-33-24)28(36)19-6-2-1-3-7-19/h11-20,29,37H,1-10H2.

What are the key properties of [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone?

[7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone has a molecular weight of 539.51 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-chloro-1-[[3-[(7-chloroimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]methyl]imidazo[1,5-a]pyridin-5-yl]-cyclohexylmethanone is sourced from PubChem (CID 155329567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).