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

C127H123F17N30O15S2 — CID 157295100

IUPAC6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)F)c2)C3=O)cnc1OC.Cc1cc(-c2cncc(OC(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(C)(=O)=O)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)[C@H]2C
InChIInChI=1S/C23H24F3N5O2.C22H22F3N5O2.C21H20F3N5O2.C21H21F2N5O3.2C20H18F3N5O3S/c1-13(2)33-17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-12-6-16(14-7-17(32-5)13(2)26-8-14)28-19-18(12)20(31)30(21(19,3)4)15-9-27-29(10-15)11-22(23,24)25;1-11-5-16(14-6-17(31-4)12(2)25-7-14)27-19-13(3)29(20(30)18(11)19)15-8-26-28(9-15)10-21(22,23)24;1-11-5-15(13-6-16(30-3)20(31-4)24-7-13)26-19-12(2)28(21(29)18(11)19)14-8-25-27(9-14)10-17(22)23;2*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/h6-11,13H,12H2,1-5H3;6-10H,11H2,1-5H3;5-9,13H,10H2,1-4H3;5-9,12,17H,10H2,1-4H3;2*4-9,12H,10H2,1-3H3/t;;;;2*12-/m....10/s1
InChIKeyBBGIGCYCTSNMMG-YFYQRYKQSA-N
MW2696.68 g/mol
LogP23.89
Rot. Bonds27

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

6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 157295100) has the molecular formula C127H123F17N30O15S2 and a molecular weight of 2696.68 g/mol. Its IUPAC name is 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID157295100
Molecular FormulaC127H123F17N30O15S2
Molecular Weight2696.68 g/mol
Exact Mass2694.90
IUPAC Name6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)F)c2)C3=O)cnc1OC.Cc1cc(-c2cncc(OC(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(C)(=O)=O)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)[C@H]2C
InChIInChI=1S/C23H24F3N5O2.C22H22F3N5O2.C21H20F3N5O2.C21H21F2N5O3.2C20H18F3N5O3S/c1-13(2)33-17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-12-6-16(14-7-17(32-5)13(2)26-8-14)28-19-18(12)20(31)30(21(19,3)4)15-9-27-29(10-15)11-22(23,24)25;1-11-5-16(14-6-17(31-4)12(2)25-7-14)27-19-13(3)29(20(30)18(11)19)15-8-26-28(9-15)10-21(22,23)24;1-11-5-15(13-6-16(30-3)20(31-4)24-7-13)26-19-12(2)28(21(29)18(11)19)14-8-25-27(9-14)10-17(22)23;2*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/h6-11,13H,12H2,1-5H3;6-10H,11H2,1-5H3;5-9,13H,10H2,1-4H3;5-9,12,17H,10H2,1-4H3;2*4-9,12H,10H2,1-3H3/t;;;;2*12-/m....10/s1
InChIKeyBBGIGCYCTSNMMG-YFYQRYKQSA-N
XLogP23.89
TPSA497.89 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002696.68
LogP ≤ 523.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-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 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 157295100) is 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is COc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)F)c2)C3=O)cnc1OC.Cc1cc(-c2cncc(OC(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(C)(=O)=O)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)[C@H]2C.
What is the InChIKey of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BBGIGCYCTSNMMG-YFYQRYKQSA-N. The full InChI is InChI=1S/C23H24F3N5O2.C22H22F3N5O2.C21H20F3N5O2.C21H21F2N5O3.2C20H18F3N5O3S/c1-13(2)33-17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-12-6-16(14-7-17(32-5)13(2)26-8-14)28-19-18(12)20(31)30(21(19,3)4)15-9-27-29(10-15)11-22(23,24)25;1-11-5-16(14-6-17(31-4)12(2)25-7-14)27-19-13(3)29(20(30)18(11)19)15-8-26-28(9-15)10-21(22,23)24;1-11-5-15(13-6-16(30-3)20(31-4)24-7-13)26-19-12(2)28(21(29)18(11)19)14-8-25-27(9-14)10-17(22)23;2*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/h6-11,13H,12H2,1-5H3;6-10H,11H2,1-5H3;5-9,13H,10H2,1-4H3;5-9,12,17H,10H2,1-4H3;2*4-9,12H,10H2,1-3H3/t;;;;2*12-/m....10/s1.
What are the key properties of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2696.68 g/mol, XLogP of 23.89, 27 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157295100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).