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

C120H119F9N26O5 — CID 157290054

IUPAC1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1(F)CCC(n2ncc3c(=O)[nH]c(C(F)c4ccccc4-c4ccncc4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccc(F)cc4-c4ccncc4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4-c4ccnc(F)c4)nc32)CC1.Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1.Cn1cc(-c2ccccc2C(F)c2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1
InChIInChI=1S/C25H26FN5O.3C24H23F2N5O.C23H24F2N6O/c1-16-7-8-18(14-27-16)20-6-4-3-5-17(20)13-22-29-23-21(24(32)30-22)15-28-31(23)19-9-11-25(2,26)12-10-19;1-24(26)8-4-18(5-9-24)31-22-20(14-28-31)23(32)30-21(29-22)12-16-2-3-17(25)13-19(16)15-6-10-27-11-7-15;1-24(26)10-6-16(7-11-24)31-22-19(14-28-31)23(32)30-21(29-22)20(25)18-5-3-2-4-17(18)15-8-12-27-13-9-15;1-24(26)9-6-17(7-10-24)31-22-19(14-28-31)23(32)30-21(29-22)13-15-4-2-3-5-18(15)16-8-11-27-20(25)12-16;1-23(25)9-7-15(8-10-23)31-21-18(12-27-31)22(32)29-20(28-21)19(24)17-6-4-3-5-16(17)14-11-26-30(2)13-14/h3-8,14-15,19H,9-13H2,1-2H3,(H,29,30,32);2-3,6-7,10-11,13-14,18H,4-5,8-9,12H2,1H3,(H,29,30,32);2-5,8-9,12-14,16,20H,6-7,10-11H2,1H3,(H,29,30,32);2-5,8,11-12,14,17H,6-7,9-10,13H2,1H3,(H,29,30,32);3-6,11-13,15,19H,7-10H2,1-2H3,(H,28,29,32)
InChIKeyBARQWJULPVPYPL-UHFFFAOYSA-N
MW2176.43 g/mol
LogP23.94
Rot. Bonds20

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

1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 157290054) has the molecular formula C120H119F9N26O5 and a molecular weight of 2176.43 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID157290054
Molecular FormulaC120H119F9N26O5
Molecular Weight2176.43 g/mol
Exact Mass2174.97
IUPAC Name1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1(F)CCC(n2ncc3c(=O)[nH]c(C(F)c4ccccc4-c4ccncc4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccc(F)cc4-c4ccncc4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4-c4ccnc(F)c4)nc32)CC1.Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1.Cn1cc(-c2ccccc2C(F)c2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1
InChIInChI=1S/C25H26FN5O.3C24H23F2N5O.C23H24F2N6O/c1-16-7-8-18(14-27-16)20-6-4-3-5-17(20)13-22-29-23-21(24(32)30-22)15-28-31(23)19-9-11-25(2,26)12-10-19;1-24(26)8-4-18(5-9-24)31-22-20(14-28-31)23(32)30-21(29-22)12-16-2-3-17(25)13-19(16)15-6-10-27-11-7-15;1-24(26)10-6-16(7-11-24)31-22-19(14-28-31)23(32)30-21(29-22)20(25)18-5-3-2-4-17(18)15-8-12-27-13-9-15;1-24(26)9-6-17(7-10-24)31-22-19(14-28-31)23(32)30-21(29-22)13-15-4-2-3-5-18(15)16-8-11-27-20(25)12-16;1-23(25)9-7-15(8-10-23)31-21-18(12-27-31)22(32)29-20(28-21)19(24)17-6-4-3-5-16(17)14-11-26-30(2)13-14/h3-8,14-15,19H,9-13H2,1-2H3,(H,29,30,32);2-3,6-7,10-11,13-14,18H,4-5,8-9,12H2,1H3,(H,29,30,32);2-5,8-9,12-14,16,20H,6-7,10-11H2,1H3,(H,29,30,32);2-5,8,11-12,14,17H,6-7,9-10,13H2,1H3,(H,29,30,32);3-6,11-13,15,19H,7-10H2,1-2H3,(H,28,29,32)
InChIKeyBARQWJULPVPYPL-UHFFFAOYSA-N
XLogP23.94
TPSA387.23 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002176.43
LogP ≤ 523.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

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

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Related Compounds

N-(5-fluoro-3-pyridinyl)-1-[6-methyl-5-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123373661
N-(2,6-dimethylpyrimidin-4-yl)-1-[2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123456844
N-(3,5-difluoro-2-pyridinyl)-2-methyl-1-[2-methyl-6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrimidin-4-yl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123848957
1-(4-fluoro-4-methylcyclohexyl)-6-[(5-fluoro-2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136960552
1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137131667
ethane;N-(4-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(6-methyl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144734819
ethane;N-(5-fluoro-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-methoxy-1,4-dihydropyrimidin-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144734839
N-(5-fluoro-2-pyridinyl)-2-methyl-1-[[2-methyl-6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 145564869
(11R,15S)-5-anilino-4-[[4-[6-fluoro-4-[3-[[(11R,15S)-4-[[4-(5-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-7-oxo-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-yl]amino]phenyl]-2-pyridinyl]phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 154930213
(6R)-15-ethyl-9-fluoro-22-[2-[(6R)-9-fluoro-17-oxo-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-15-yl]propyl]-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CID 156226680
(6R,14R)-9-fluoro-15-[2-[(6R)-9-fluoro-15-methyl-17-oxo-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-22-yl]ethyl]-14-methyl-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CID 156226682
(6R)-15-ethyl-9-fluoro-23-[2-[(6R)-9-fluoro-17-oxo-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-15-yl]propyl]-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CID 156226687

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 157290054) is 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1(F)CCC(n2ncc3c(=O)[nH]c(C(F)c4ccccc4-c4ccncc4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccc(F)cc4-c4ccncc4)nc32)CC1.CC1(F)CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4-c4ccnc(F)c4)nc32)CC1.Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1.Cn1cc(-c2ccccc2C(F)c2nc3c(cnn3C3CCC(C)(F)CC3)c(=O)[nH]2)cn1.
What is the InChIKey of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BARQWJULPVPYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O.3C24H23F2N5O.C23H24F2N6O/c1-16-7-8-18(14-27-16)20-6-4-3-5-17(20)13-22-29-23-21(24(32)30-22)15-28-31(23)19-9-11-25(2,26)12-10-19;1-24(26)8-4-18(5-9-24)31-22-20(14-28-31)23(32)30-21(29-22)12-16-2-3-17(25)13-19(16)15-6-10-27-11-7-15;1-24(26)10-6-16(7-11-24)31-22-19(14-28-31)23(32)30-21(29-22)20(25)18-5-3-2-4-17(18)15-8-12-27-13-9-15;1-24(26)9-6-17(7-10-24)31-22-19(14-28-31)23(32)30-21(29-22)13-15-4-2-3-5-18(15)16-8-11-27-20(25)12-16;1-23(25)9-7-15(8-10-23)31-21-18(12-27-31)22(32)29-20(28-21)19(24)17-6-4-3-5-16(17)14-11-26-30(2)13-14/h3-8,14-15,19H,9-13H2,1-2H3,(H,29,30,32);2-3,6-7,10-11,13-14,18H,4-5,8-9,12H2,1H3,(H,29,30,32);2-5,8-9,12-14,16,20H,6-7,10-11H2,1H3,(H,29,30,32);2-5,8,11-12,14,17H,6-7,9-10,13H2,1H3,(H,29,30,32);3-6,11-13,15,19H,7-10H2,1-2H3,(H,28,29,32).
What are the key properties of 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2176.43 g/mol, XLogP of 23.94, 20 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-[2-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-fluoro-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[fluoro-(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(4-fluoro-2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 157290054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).