1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C101H114F3N25O7 — CID 159347820

About 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159347820) has the molecular formula C101H114F3N25O7 and a molecular weight of 1847.18 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 159347820
• Molecular Formula: C101H114F3N25O7
• Molecular Weight: 1847.18 g/mol
• Exact Mass: 1845.93
• IUPAC Name: 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC1(F)CCC(n2ncc3c(=O)[nH]c(C4CCC4c4ccccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c([C@@H]4CC[C@H]4c4ccccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c([C@H]4CC[C@@H]4c4ccccn4)nc32)CC1.O=c1[nH]c([C@@H]2CC[C@@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/3C21H24FN5O.2C19H21N5O2/c3*1-21(22)9-7-13(8-10-21)27-19-16(12-24-27)20(28)26-18(25-19)15-6-5-14(15)17-4-2-3-11-23-17;2*25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16/h3*2-4,11-15H,5-10H2,1H3,(H,25,26,28);2*1-3,8,11-14H,4-7,9-10H2,(H,22,23,25)/t2*13?,14-,15-,21?;;2*13-,14+/m10.10/s1
• InChIKey: LGYIKILIQCSRMX-RNVQXYQQSA-N
• XLogP: 17.11
• TPSA: 400.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.18
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 159347820) is 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-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-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1(F)CCC(n2ncc3c(=O)[nH]c(C4CCC4c4ccccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c([C@@H]4CC[C@H]4c4ccccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c([C@H]4CC[C@@H]4c4ccccn4)nc32)CC1.O=c1[nH]c([C@@H]2CC[C@@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.

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

The InChIKey is LGYIKILIQCSRMX-RNVQXYQQSA-N. The full InChI is InChI=1S/3C21H24FN5O.2C19H21N5O2/c3*1-21(22)9-7-13(8-10-21)27-19-16(12-24-27)20(28)26-18(25-19)15-6-5-14(15)17-4-2-3-11-23-17;2*25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16/h3*2-4,11-15H,5-10H2,1H3,(H,25,26,28);2*1-3,8,11-14H,4-7,9-10H2,(H,22,23,25)/t2*13?,14-,15-,21?;;2*13-,14+/m10.10/s1.

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

1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1847.18 g/mol, XLogP of 17.11, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159347820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).