1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H25FN6O — CID 136641899

About 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136641899) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 136641899
• Molecular Formula: C23H25FN6O
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.21
• IUPAC Name: 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC1(F)CCC(n2ncc3c(=O)[nH]c([C@@H]4CC[C@H]4c4cn5ccccc5n4)nc32)CC1
• InChI: InChI=1S/C23H25FN6O/c1-23(24)9-7-14(8-10-23)30-21-17(12-25-30)22(31)28-20(27-21)16-6-5-15(16)18-13-29-11-3-2-4-19(29)26-18/h2-4,11-16H,5-10H2,1H3,(H,27,28,31)/t14?,15-,16-,23?/m1/s1
• InChIKey: AXYYTPXUWVEOIV-PKJDUHKXSA-N
• XLogP: 4.27
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136641899) is 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1(F)CCC(n2ncc3c(=O)[nH]c([C@@H]4CC[C@H]4c4cn5ccccc5n4)nc32)CC1.

What is the InChIKey of 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is AXYYTPXUWVEOIV-PKJDUHKXSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-23(24)9-7-14(8-10-23)30-21-17(12-25-30)22(31)28-20(27-21)16-6-5-15(16)18-13-29-11-3-2-4-19(29)26-18/h2-4,11-16H,5-10H2,1H3,(H,27,28,31)/t14?,15-,16-,23?/m1/s1.

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

1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 420.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136641899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).