6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H24ClFN6O — CID 136641906

About 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136641906) has the molecular formula C23H24ClFN6O and a molecular weight of 454.94 g/mol. Its IUPAC name is 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 136641906
• Molecular Formula: C23H24ClFN6O
• Molecular Weight: 454.94 g/mol
• Exact Mass: 454.17
• IUPAC Name: 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC1(F)CCC(n2ncc3c(=O)[nH]c([C@@H]4CC[C@@H]4c4cn5ccc(Cl)cc5n4)nc32)CC1
• InChI: InChI=1S/C23H24ClFN6O/c1-23(25)7-4-14(5-8-23)31-21-17(11-26-31)22(32)29-20(28-21)16-3-2-15(16)18-12-30-9-6-13(24)10-19(30)27-18/h6,9-12,14-16H,2-5,7-8H2,1H3,(H,28,29,32)/t14?,15-,16+,23?/m0/s1
• InChIKey: ABMADXWASSJHCR-NFMKCMLSSA-N
• XLogP: 4.93
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.94
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136641906) is 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1(F)CCC(n2ncc3c(=O)[nH]c([C@@H]4CC[C@@H]4c4cn5ccc(Cl)cc5n4)nc32)CC1.

What is the InChIKey of 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is ABMADXWASSJHCR-NFMKCMLSSA-N. The full InChI is InChI=1S/C23H24ClFN6O/c1-23(25)7-4-14(5-8-23)31-21-17(11-26-31)22(32)29-20(28-21)16-3-2-15(16)18-12-30-9-6-13(24)10-19(30)27-18/h6,9-12,14-16H,2-5,7-8H2,1H3,(H,28,29,32)/t14?,15-,16+,23?/m0/s1.

What are the key properties of 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 454.94 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136641906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).