2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

C121H106F22N30O16S — CID 158151156

IUPAC2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)[C@H]2C.Cc1cc(-c2cncc(S(C)(=O)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C
InChIInChI=1S/C21H20F3N5O2.2C20H16F5N5O2.C20H18F3N5O4.C20H18F3N5O3S.C20H18F3N5O3/c1-12-5-16(13-6-15(31-4)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24;2*1-10-3-15(12-4-14(7-26-5-12)32-19(21)22)28-17-11(2)30(18(31)16(10)17)13-6-27-29(8-13)9-20(23,24)25;1-10-4-13(11-5-14(31-2)17(32-3)24-6-11)26-16-15(10)18(29)28(19(16)30)12-7-25-27(8-12)9-20(21,22)23;1-11-4-16(13-5-15(8-24-6-13)32(3,30)31)26-18-12(2)28(19(29)17(11)18)14-7-25-27(9-14)10-20(21,22)23;1-11-4-15(12-5-14(30-2)8-24-6-12)26-17-16(11)18(29)28(19(17)31-3)13-7-25-27(9-13)10-20(21,22)23/h5-10H,11H2,1-4H3;2*3-8,11,19H,9H2,1-2H3;4-8,19,30H,9H2,1-3H3;4-9,12H,10H2,1-3H3;4-9,19H,10H2,1-3H3/t;11-;;;;/m.0..../s1
InChIKeyFVCYJRFODPMSHL-VWPNTMCTSA-N
MW2686.40 g/mol
LogP22.92
Rot. Bonds28

About 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158151156) has the molecular formula C121H106F22N30O16S and a molecular weight of 2686.40 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID158151156
Molecular FormulaC121H106F22N30O16S
Molecular Weight2686.40 g/mol
Exact Mass2684.78
IUPAC Name2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)[C@H]2C.Cc1cc(-c2cncc(S(C)(=O)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C
InChIInChI=1S/C21H20F3N5O2.2C20H16F5N5O2.C20H18F3N5O4.C20H18F3N5O3S.C20H18F3N5O3/c1-12-5-16(13-6-15(31-4)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24;2*1-10-3-15(12-4-14(7-26-5-12)32-19(21)22)28-17-11(2)30(18(31)16(10)17)13-6-27-29(8-13)9-20(23,24)25;1-10-4-13(11-5-14(31-2)17(32-3)24-6-11)26-16-15(10)18(29)28(19(16)30)12-7-25-27(8-12)9-20(21,22)23;1-11-4-16(13-5-15(8-24-6-13)32(3,30)31)26-18-12(2)28(19(29)17(11)18)14-7-25-27(9-14)10-20(21,22)23;1-11-4-15(12-5-14(30-2)8-24-6-12)26-17-16(11)18(29)28(19(17)31-3)13-7-25-27(9-13)10-20(21,22)23/h5-10H,11H2,1-4H3;2*3-8,11,19H,9H2,1-2H3;4-8,19,30H,9H2,1-3H3;4-9,12H,10H2,1-3H3;4-9,19H,10H2,1-3H3/t;11-;;;;/m.0..../s1
InChIKeyFVCYJRFODPMSHL-VWPNTMCTSA-N
XLogP22.92
TPSA502.44 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.40
LogP ≤ 522.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Analyze 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 158151156) is 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is COc1cc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)[C@H]2C.Cc1cc(-c2cncc(S(C)(=O)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.
What is the InChIKey of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is FVCYJRFODPMSHL-VWPNTMCTSA-N. The full InChI is InChI=1S/C21H20F3N5O2.2C20H16F5N5O2.C20H18F3N5O4.C20H18F3N5O3S.C20H18F3N5O3/c1-12-5-16(13-6-15(31-4)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24;2*1-10-3-15(12-4-14(7-26-5-12)32-19(21)22)28-17-11(2)30(18(31)16(10)17)13-6-27-29(8-13)9-20(23,24)25;1-10-4-13(11-5-14(31-2)17(32-3)24-6-11)26-16-15(10)18(29)28(19(16)30)12-7-25-27(8-12)9-20(21,22)23;1-11-4-16(13-5-15(8-24-6-13)32(3,30)31)26-18-12(2)28(19(29)17(11)18)14-7-25-27(9-14)10-20(21,22)23;1-11-4-15(12-5-14(30-2)8-24-6-12)26-17-16(11)18(29)28(19(17)31-3)13-7-25-27(9-13)10-20(21,22)23/h5-10H,11H2,1-4H3;2*3-8,11,19H,9H2,1-2H3;4-8,19,30H,9H2,1-3H3;4-9,12H,10H2,1-3H3;4-9,19H,10H2,1-3H3/t;11-;;;;/m.0..../s1.
What are the key properties of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2686.40 g/mol, XLogP of 22.92, 28 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158151156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).