6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C85H107F12N19O4 — CID 160949638

About 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 160949638) has the molecular formula C85H107F12N19O4 and a molecular weight of 1686.90 g/mol. Its IUPAC name is 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 160949638
• Molecular Formula: C85H107F12N19O4
• Molecular Weight: 1686.90 g/mol
• Exact Mass: 1685.86
• IUPAC Name: 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C=C1CC(CC(CC)C(F)(F)F)=Nc2c1cnn2C1CCC(F)(F)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)cc(F)c4)nc32)CC1.CCCCc1nc2c(cnn2C2CCC(F)(F)CC2)c(=O)[nH]1.CCCc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1
• InChI: InChI=1S/C19H19F3N4O.C18H22F5N3.C18H25FN4O.C15H20F2N4O.C15H21FN4O/c1-19(22)4-2-14(3-5-19)26-17-15(10-23-26)18(27)25-16(24-17)8-11-6-12(20)9-13(21)7-11;1-3-12(18(21,22)23)9-13-8-11(2)15-10-24-26(16(15)25-13)14-4-6-17(19,20)7-5-14;1-18(19)8-6-13(7-9-18)23-16-14(11-20-23)17(24)22-15(21-16)10-12-4-2-3-5-12;1-2-3-4-12-19-13-11(14(22)20-12)9-18-21(13)10-5-7-15(16,17)8-6-10;1-3-4-12-18-13-11(14(21)19-12)9-17-20(13)10-5-7-15(2,16)8-6-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,24,25,27);10,12,14H,2-9H2,1H3;11-13H,2-10H2,1H3,(H,21,22,24);9-10H,2-8H2,1H3,(H,19,20,22);9-10H,3-8H2,1-2H3,(H,18,19,21)
• InChIKey: SVOSLSJJQWNQNT-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 284.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1686.90
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 160949638) is 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C1CC(CC(CC)C(F)(F)F)=Nc2c1cnn2C1CCC(F)(F)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)cc(F)c4)nc32)CC1.CCCCc1nc2c(cnn2C2CCC(F)(F)CC2)c(=O)[nH]1.CCCc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1.

What is the InChIKey of 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is SVOSLSJJQWNQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O.C18H22F5N3.C18H25FN4O.C15H20F2N4O.C15H21FN4O/c1-19(22)4-2-14(3-5-19)26-17-15(10-23-26)18(27)25-16(24-17)8-11-6-12(20)9-13(21)7-11;1-3-12(18(21,22)23)9-13-8-11(2)15-10-24-26(16(15)25-13)14-4-6-17(19,20)7-5-14;1-18(19)8-6-13(7-9-18)23-16-14(11-20-23)17(24)22-15(21-16)10-12-4-2-3-5-12;1-2-3-4-12-19-13-11(14(22)20-12)9-18-21(13)10-5-7-15(16,17)8-6-10;1-3-4-12-18-13-11(14(21)19-12)9-17-20(13)10-5-7-15(2,16)8-6-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,24,25,27);10,12,14H,2-9H2,1H3;11-13H,2-10H2,1H3,(H,21,22,24);9-10H,2-8H2,1H3,(H,19,20,22);9-10H,3-8H2,1-2H3,(H,18,19,21).

What are the key properties of 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1686.90 g/mol, XLogP of 19.76, 17 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 160949638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).