7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide

C107H119F9N24O8 — CID 160814955

About 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide

7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide (PubChem CID 160814955) has the molecular formula C107H119F9N24O8 and a molecular weight of 2040.27 g/mol. Its IUPAC name is 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide
• PubChem CID: 160814955
• Molecular Formula: C107H119F9N24O8
• Molecular Weight: 2040.27 g/mol
• Exact Mass: 2038.95
• IUPAC Name: 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide
• SMILES: CC1(C)CC(Cc2nc3c(ccn3C3CCC(F)(F)CC3)c(=O)[nH]2)CO1.CC1(F)CCC(n2ncc3c(=O)[nH]c(C(F)c4ccccc4-n4cccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)ccc4-c4ccnc(F)c4)nc32)CC1.CN(C)C(=O)Cc1ccccc1Cc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1.COc1cccnc1Cc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1
• InChI: InChI=1S/C24H22F3N5O.C23H28FN5O2.C22H22F2N6O.C19H25F2N3O2.C19H22FN5O2/c1-24(27)7-4-17(5-8-24)32-22-19(13-29-32)23(33)31-21(30-22)12-15-10-16(25)2-3-18(15)14-6-9-28-20(26)11-14;1-23(24)10-8-17(9-11-23)29-21-18(14-25-29)22(31)27-19(26-21)12-15-6-4-5-7-16(15)13-20(30)28(2)3;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;1-18(2)10-12(11-26-18)9-15-22-16-14(17(25)23-15)5-8-24(16)13-3-6-19(20,21)7-4-13;1-19(20)7-5-12(6-8-19)25-17-13(11-22-25)18(26)24-16(23-17)10-14-15(27-2)4-3-9-21-14/h2-3,6,9-11,13,17H,4-5,7-8,12H2,1H3,(H,30,31,33);4-7,14,17H,8-13H2,1-3H3,(H,26,27,31);2-6,11-14,18H,7-10H2,1H3,(H,27,28,31);5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,22,23,25);3-4,9,11-12H,5-8,10H2,1-2H3,(H,23,24,26)
• InChIKey: SETYORYKBUXZTK-UHFFFAOYSA-N
• XLogP: 19.08
• TPSA: 387.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2040.27
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide?

The IUPAC name of 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide (CID 160814955) is 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide.

What is the SMILES notation for 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide?

The canonical SMILES for 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide is CC1(C)CC(Cc2nc3c(ccn3C3CCC(F)(F)CC3)c(=O)[nH]2)CO1.CC1(F)CCC(n2ncc3c(=O)[nH]c(C(F)c4ccccc4-n4cccn4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4cc(F)ccc4-c4ccnc(F)c4)nc32)CC1.CN(C)C(=O)Cc1ccccc1Cc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1.COc1cccnc1Cc1nc2c(cnn2C2CCC(C)(F)CC2)c(=O)[nH]1.

What is the InChIKey of 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide?

The InChIKey is SETYORYKBUXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O.C23H28FN5O2.C22H22F2N6O.C19H25F2N3O2.C19H22FN5O2/c1-24(27)7-4-17(5-8-24)32-22-19(13-29-32)23(33)31-21(30-22)12-15-10-16(25)2-3-18(15)14-6-9-28-20(26)11-14;1-23(24)10-8-17(9-11-23)29-21-18(14-25-29)22(31)27-19(26-21)12-15-6-4-5-7-16(15)13-20(30)28(2)3;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;1-18(2)10-12(11-26-18)9-15-22-16-14(17(25)23-15)5-8-24(16)13-3-6-19(20,21)7-4-13;1-19(20)7-5-12(6-8-19)25-17-13(11-22-25)18(26)24-16(23-17)10-14-15(27-2)4-3-9-21-14/h2-3,6,9-11,13,17H,4-5,7-8,12H2,1H3,(H,30,31,33);4-7,14,17H,8-13H2,1-3H3,(H,26,27,31);2-6,11-14,18H,7-10H2,1H3,(H,27,28,31);5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,22,23,25);3-4,9,11-12H,5-8,10H2,1-2H3,(H,23,24,26).

What are the key properties of 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide?

7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide has a molecular weight of 2040.27 g/mol, XLogP of 19.08, 20 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;6-[[5-fluoro-2-(2-fluoro-4-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-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-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[2-[[1-(4-fluoro-4-methylcyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 160814955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).