2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

C169H170F23N37O18S4 — CID 159615850

IUPAC2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCC(=O)Cc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCC(=O)Cc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(CC(=O)C(C)(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(CS(=O)(=O)C(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(CS(=O)(=O)c3ccc(F)cc3F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)NC(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C27H22F5N5O3S.C26H28F3N5O2.C24H26F3N5O3S.C24H24F3N5O2.C23H25F3N6O3S.C23H22F3N5O2.C22H23F3N6O3S/c1-15-6-21(17-7-16(9-33-10-17)13-41(39,40)22-5-4-18(28)8-20(22)29)35-24-23(15)25(38)37(26(24,2)3)19-11-34-36(12-19)14-27(30,31)32;1-15-7-19(17-8-16(10-30-11-17)9-20(35)24(2,3)4)32-22-21(15)23(36)34(25(22,5)6)18-12-31-33(13-18)14-26(27,28)29;1-14(2)36(34,35)12-16-7-17(9-28-8-16)19-6-15(3)20-21(30-19)23(4,5)32(22(20)33)18-10-29-31(11-18)13-24(25,26)27;1-5-18(33)8-15-7-16(10-28-9-15)19-6-14(2)20-21(30-19)23(3,4)32(22(20)34)17-11-29-31(12-17)13-24(25,26)27;1-13(2)30-36(34,35)17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)32(21(19)33)16-9-28-31(11-16)12-23(24,25)26;1-13-5-18(16-7-15(6-14(2)32)8-27-9-16)29-20-19(13)21(33)31(22(20,3)4)17-10-28-30(11-17)12-23(24,25)26;1-13-6-17(14-7-16(10-26-8-14)35(33,34)29(4)5)28-19-18(13)20(32)31(21(19,2)3)15-9-27-30(11-15)12-22(23,24)25/h4-12H,13-14H2,1-3H3;7-8,10-13H,9,14H2,1-6H3;6-11,14H,12-13H2,1-5H3;6-7,9-12H,5,8,13H2,1-4H3;6-11,13,30H,12H2,1-5H3;5,7-11H,6,12H2,1-4H3;6-11H,12H2,1-5H3
InChIKeyMNGUKOBISFBCPQ-UHFFFAOYSA-N
MW3572.68 g/mol
LogP31.07
Rot. Bonds39

About 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 159615850) has the molecular formula C169H170F23N37O18S4 and a molecular weight of 3572.68 g/mol. Its IUPAC name is 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID159615850
Molecular FormulaC169H170F23N37O18S4
Molecular Weight3572.68 g/mol
Exact Mass3570.20
IUPAC Name2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCC(=O)Cc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCC(=O)Cc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(CC(=O)C(C)(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(CS(=O)(=O)C(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(CS(=O)(=O)c3ccc(F)cc3F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)NC(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C27H22F5N5O3S.C26H28F3N5O2.C24H26F3N5O3S.C24H24F3N5O2.C23H25F3N6O3S.C23H22F3N5O2.C22H23F3N6O3S/c1-15-6-21(17-7-16(9-33-10-17)13-41(39,40)22-5-4-18(28)8-20(22)29)35-24-23(15)25(38)37(26(24,2)3)19-11-34-36(12-19)14-27(30,31)32;1-15-7-19(17-8-16(10-30-11-17)9-20(35)24(2,3)4)32-22-21(15)23(36)34(25(22,5)6)18-12-31-33(13-18)14-26(27,28)29;1-14(2)36(34,35)12-16-7-17(9-28-8-16)19-6-15(3)20-21(30-19)23(4,5)32(22(20)33)18-10-29-31(11-18)13-24(25,26)27;1-5-18(33)8-15-7-16(10-28-9-15)19-6-14(2)20-21(30-19)23(3,4)32(22(20)34)17-11-29-31(12-17)13-24(25,26)27;1-13(2)30-36(34,35)17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)32(21(19)33)16-9-28-31(11-16)12-23(24,25)26;1-13-5-18(16-7-15(6-14(2)32)8-27-9-16)29-20-19(13)21(33)31(22(20,3)4)17-10-28-30(11-17)12-23(24,25)26;1-13-6-17(14-7-16(10-26-8-14)35(33,34)29(4)5)28-19-18(13)20(32)31(21(19,2)3)15-9-27-30(11-15)12-22(23,24)25/h4-12H,13-14H2,1-3H3;7-8,10-13H,9,14H2,1-6H3;6-11,14H,12-13H2,1-5H3;6-7,9-12H,5,8,13H2,1-4H3;6-11,13,30H,12H2,1-5H3;5,7-11H,6,12H2,1-4H3;6-11H,12H2,1-5H3
InChIKeyMNGUKOBISFBCPQ-UHFFFAOYSA-N
XLogP31.07
TPSA650.41 Ų
H-Bond Donors1
H-Bond Acceptors46
Rotatable Bonds39
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003572.68
LogP ≤ 531.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1046

Analyze 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

tetrakis((7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6-[(4-methylcyclohexyl)methyl]-7-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;methane;4-(trifluoromethyl)cyclohexane-1-carbaldehyde;hydrobromide
CID 157204569
[(4aR)-1-(4-fluorophenyl)-6-(1-methyltriazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[(4aR)-1-(4-fluorophenyl)-6-(2-methyltriazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[(4aR)-1-(4-fluorophenyl)-6-(3-methyltriazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
CID 157636847
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-propylsulfonylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyrrol-1-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[1-(2-thiophen-2-ylacetyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 158139169
[(4aR)-6-(1-ethyltriazol-4-yl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[(4aR)-6-(2-ethyltriazol-4-yl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[(4aR)-6-(3-ethyltriazol-4-yl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
CID 158670329
[(4aS,6S)-6-(benzenesulfonyl)-6-fluoro-1-(4-fluorophenyl)-4,5,7,8-tetrahydrobenzo[f]indazol-4a-yl]-pyridin-2-ylmethanone;[(4aS)-6-(2-ethyltriazol-4-yl)sulfonyl-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(5-cyclopropyl-2-pyridinyl)methanone;N-[(4aS,6S)-1-(4-fluorophenyl)-4a-[6-(trifluoromethyl)pyridine-2-carbonyl]-5,6,7,8-tetrahydro-4H-benzo[f]indazol-6-yl]-2-ethyl-N-methyltriazole-4-sulfonamide;[(4aS,6S)-1-(4-fluorophenyl)-6-[[(4-fluorophenyl)-methylidene-oxo-lambda6-sulfanyl]-methylamino]-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(5-cyclopropyl-2-pyridinyl)methanone
CID 159359604
16-[1-(2,2-Difluorocyclopropanecarbonyl)piperidin-4-yl]-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;16-(4-methylsulfonylcyclohexyl)-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione;16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
CID 160237446
[(4aR)-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;[(4aR)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone;methanesulfonic acid;1-methylpiperazine;1-methylpyrazole-4-sulfonyl chloride
CID 164955324
(7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;tetrakis((7S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);methane;4-methylcyclohexane-1-carbaldehyde;hydrobromide
CID 165058833
1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157215052
N-[1-(1-carbamoylpiperidin-3-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(1-methylsulfonylpiperidin-3-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(1-methylsulfonylpiperidin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157476019
1-(4-fluorophenyl)-N-[(1R)-1-(1-methyl-4-methylsulfonylpyrrol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1H-pyrrol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1,2,2,2-tetradeuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157505280
(4aS,6S)-4a-(5-cyclopropylpyridine-2-carbonyl)-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-sulfonamide;[(4aS,6S)-6-(benzenesulfonyl)-6-fluoro-1-(4-fluorophenyl)-4,5,7,8-tetrahydrobenzo[f]indazol-4a-yl]-pyridin-2-ylmethanone;[(4aS,6S)-1-(4-fluorophenyl)-6-[[(4-fluorophenyl)-methylidene-oxo-lambda6-sulfanyl]-methylamino]-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(5-cyclopropyl-2-pyridinyl)methanone;(4aR,6S)-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-4a-(4-methylpyridine-2-carbonyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide
CID 157612019

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 159615850) is 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is CC(=O)Cc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCC(=O)Cc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(CC(=O)C(C)(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(CS(=O)(=O)C(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(CS(=O)(=O)c3ccc(F)cc3F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)NC(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.
What is the InChIKey of 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MNGUKOBISFBCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F5N5O3S.C26H28F3N5O2.C24H26F3N5O3S.C24H24F3N5O2.C23H25F3N6O3S.C23H22F3N5O2.C22H23F3N6O3S/c1-15-6-21(17-7-16(9-33-10-17)13-41(39,40)22-5-4-18(28)8-20(22)29)35-24-23(15)25(38)37(26(24,2)3)19-11-34-36(12-19)14-27(30,31)32;1-15-7-19(17-8-16(10-30-11-17)9-20(35)24(2,3)4)32-22-21(15)23(36)34(25(22,5)6)18-12-31-33(13-18)14-26(27,28)29;1-14(2)36(34,35)12-16-7-17(9-28-8-16)19-6-15(3)20-21(30-19)23(4,5)32(22(20)33)18-10-29-31(11-18)13-24(25,26)27;1-5-18(33)8-15-7-16(10-28-9-15)19-6-14(2)20-21(30-19)23(3,4)32(22(20)34)17-11-29-31(12-17)13-24(25,26)27;1-13(2)30-36(34,35)17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)32(21(19)33)16-9-28-31(11-16)12-23(24,25)26;1-13-5-18(16-7-15(6-14(2)32)8-27-9-16)29-20-19(13)21(33)31(22(20,3)4)17-10-28-30(11-17)12-23(24,25)26;1-13-6-17(14-7-16(10-26-8-14)35(33,34)29(4)5)28-19-18(13)20(32)31(21(19,2)3)15-9-27-30(11-15)12-22(23,24)25/h4-12H,13-14H2,1-3H3;7-8,10-13H,9,14H2,1-6H3;6-11,14H,12-13H2,1-5H3;6-7,9-12H,5,8,13H2,1-4H3;6-11,13,30H,12H2,1-5H3;5,7-11H,6,12H2,1-4H3;6-11H,12H2,1-5H3.
What are the key properties of 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 3572.68 g/mol, XLogP of 31.07, 39 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 159615850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).