1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C114H115F8N29O5 — CID 158450129

About 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158450129) has the molecular formula C114H115F8N29O5 and a molecular weight of 2123.36 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 158450129
• Molecular Formula: C114H115F8N29O5
• Molecular Weight: 2123.36 g/mol
• Exact Mass: 2121.95
• IUPAC Name: 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC1(F)CCC(n2ncc3c(=O)[nH]c(C(F)c4ccccc4-n4cccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)ccc4-c4ccccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)ccc4-n4cccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4-c4ccccn4)nc32)CC1.Cn1cc(-c2cccnc2Cc2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1
• InChI: InChI=1S/C24H23F2N5O.C24H24FN5O.2C22H22F2N6O.C22H24FN7O/c1-24(26)9-7-17(8-10-24)31-22-19(14-28-31)23(32)30-21(29-22)13-15-12-16(25)5-6-18(15)20-4-2-3-11-27-20;1-24(25)11-9-17(10-12-24)30-22-19(15-27-30)23(31)29-21(28-22)14-16-6-2-3-7-18(16)20-8-4-5-13-26-20;1-22(24)7-5-16(6-8-22)30-20-17(13-26-30)21(31)28-19(27-20)12-14-11-15(23)3-4-18(14)29-10-2-9-25-29;1-22(24)9-7-14(8-10-22)30-20-16(13-26-30)21(31)28-19(27-20)18(23)15-5-2-3-6-17(15)29-12-4-11-25-29;1-22(23)7-5-15(6-8-22)30-20-17(12-26-30)21(31)28-19(27-20)10-18-16(4-3-9-24-18)14-11-25-29(2)13-14/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,29,30,32);2-8,13,15,17H,9-12,14H2,1H3,(H,28,29,31);2-4,9-11,13,16H,5-8,12H2,1H3,(H,27,28,31);2-6,11-14,18H,7-10H2,1H3,(H,27,28,31);3-4,9,11-13,15H,5-8,10H2,1-2H3,(H,27,28,31)
• InChIKey: HDWKXNDKAJFORE-UHFFFAOYSA-N
• XLogP: 20.81
• TPSA: 409.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.36
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158450129) is 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1(F)CCC(n2ncc3c(=O)[nH]c(C(F)c4ccccc4-n4cccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)ccc4-c4ccccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)ccc4-n4cccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4-c4ccccn4)nc32)CC1.Cn1cc(-c2cccnc2Cc2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1.

What is the InChIKey of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is HDWKXNDKAJFORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O.C24H24FN5O.2C22H22F2N6O.C22H24FN7O/c1-24(26)9-7-17(8-10-24)31-22-19(14-28-31)23(32)30-21(29-22)13-15-12-16(25)5-6-18(15)20-4-2-3-11-27-20;1-24(25)11-9-17(10-12-24)30-22-19(15-27-30)23(31)29-21(28-22)14-16-6-2-3-7-18(16)20-8-4-5-13-26-20;1-22(24)7-5-16(6-8-22)30-20-17(13-26-30)21(31)28-19(27-20)12-14-11-15(23)3-4-18(14)29-10-2-9-25-29;1-22(24)9-7-14(8-10-22)30-20-16(13-26-30)21(31)28-19(27-20)18(23)15-5-2-3-6-17(15)29-12-4-11-25-29;1-22(23)7-5-15(6-8-22)30-20-17(12-26-30)21(31)28-19(27-20)10-18-16(4-3-9-24-18)14-11-25-29(2)13-14/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,29,30,32);2-8,13,15,17H,9-12,14H2,1H3,(H,28,29,31);2-4,9-11,13,16H,5-8,12H2,1H3,(H,27,28,31);2-6,11-14,18H,7-10H2,1H3,(H,27,28,31);3-4,9,11-13,15H,5-8,10H2,1-2H3,(H,27,28,31).

What are the key properties of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2123.36 g/mol, XLogP of 20.81, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158450129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).