2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one

C134H128F20N32O17S — CID 158123390

IUPAC2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
SMILESCCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1
InChIInChI=1S/C23H23F3N6O4S.C23H23F3N6O3.C23H22F3N5O3.C22H21F4N5O2.C22H20F3N5O3.C21H19F4N5O2/c1-14-6-18(15-7-17(10-27-8-15)37(34,35)30(2)3)29-20-19(14)21(33)32(22(20)4-5-36-13-22)16-9-28-31(11-16)12-23(24,25)26;1-5-27-20(33)16-7-14(8-28-21(16)35-4)17-6-12(2)18-19(30-17)13(3)32(22(18)34)15-9-29-31(10-15)11-23(24,25)26;1-3-34-17-7-15(8-27-10-17)18-6-14(2)19-20(29-18)22(4-5-33-13-22)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-11-4-16(14-5-17(12(2)27-6-14)33-10-19(25)26)29-21-13(3)31(22(32)20(11)21)15-7-28-30(8-15)9-18(23)24;1-13-5-17(14-6-16(32-2)9-26-7-14)28-19-18(13)20(31)30(21(19)3-4-33-12-21)15-8-27-29(10-15)11-22(23,24)25;1-11-3-16(13-4-15(7-26-5-13)32-10-18(24)25)28-20-12(2)30(21(31)19(11)20)14-6-27-29(8-14)9-17(22)23/h6-11H,4-5,12-13H2,1-3H3;6-10,13H,5,11H2,1-4H3,(H,27,33);6-11H,3-5,12-13H2,1-2H3;4-8,13,18-19H,9-10H2,1-3H3;5-10H,3-4,11-12H2,1-2H3;3-8,12,17-18H,9-10H2,1-2H3
InChIKeyFRWGTGSZYMBBPL-UHFFFAOYSA-N
MW2870.73 g/mol
LogP22.67
Rot. Bonds34

About 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one

2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one (PubChem CID 158123390) has the molecular formula C134H128F20N32O17S and a molecular weight of 2870.73 g/mol. Its IUPAC name is 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one.

Molecular Properties

Compound Name2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
PubChem CID158123390
Molecular FormulaC134H128F20N32O17S
Molecular Weight2870.73 g/mol
Exact Mass2868.95
IUPAC Name2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
SMILESCCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1
InChIInChI=1S/C23H23F3N6O4S.C23H23F3N6O3.C23H22F3N5O3.C22H21F4N5O2.C22H20F3N5O3.C21H19F4N5O2/c1-14-6-18(15-7-17(10-27-8-15)37(34,35)30(2)3)29-20-19(14)21(33)32(22(20)4-5-36-13-22)16-9-28-31(11-16)12-23(24,25)26;1-5-27-20(33)16-7-14(8-28-21(16)35-4)17-6-12(2)18-19(30-17)13(3)32(22(18)34)15-9-29-31(10-15)11-23(24,25)26;1-3-34-17-7-15(8-27-10-17)18-6-14(2)19-20(29-18)22(4-5-33-13-22)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-11-4-16(14-5-17(12(2)27-6-14)33-10-19(25)26)29-21-13(3)31(22(32)20(11)21)15-7-28-30(8-15)9-18(23)24;1-13-5-17(14-6-16(32-2)9-26-7-14)28-19-18(13)20(31)30(21(19)3-4-33-12-21)15-8-27-29(10-15)11-22(23,24)25;1-11-3-16(13-4-15(7-26-5-13)32-10-18(24)25)28-20-12(2)30(21(31)19(11)20)14-6-27-29(8-14)9-17(22)23/h6-11H,4-5,12-13H2,1-3H3;6-10,13H,5,11H2,1-4H3,(H,27,33);6-11H,3-5,12-13H2,1-2H3;4-8,13,18-19H,9-10H2,1-3H3;5-10H,3-4,11-12H2,1-2H3;3-8,12,17-18H,9-10H2,1-2H3
InChIKeyFRWGTGSZYMBBPL-UHFFFAOYSA-N
XLogP22.67
TPSA523.78 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002870.73
LogP ≤ 522.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The IUPAC name of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one (CID 158123390) is 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one.
What is the SMILES notation for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The canonical SMILES for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one is CCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1.
What is the InChIKey of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The InChIKey is FRWGTGSZYMBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O4S.C23H23F3N6O3.C23H22F3N5O3.C22H21F4N5O2.C22H20F3N5O3.C21H19F4N5O2/c1-14-6-18(15-7-17(10-27-8-15)37(34,35)30(2)3)29-20-19(14)21(33)32(22(20)4-5-36-13-22)16-9-28-31(11-16)12-23(24,25)26;1-5-27-20(33)16-7-14(8-28-21(16)35-4)17-6-12(2)18-19(30-17)13(3)32(22(18)34)15-9-29-31(10-15)11-23(24,25)26;1-3-34-17-7-15(8-27-10-17)18-6-14(2)19-20(29-18)22(4-5-33-13-22)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-11-4-16(14-5-17(12(2)27-6-14)33-10-19(25)26)29-21-13(3)31(22(32)20(11)21)15-7-28-30(8-15)9-18(23)24;1-13-5-17(14-6-16(32-2)9-26-7-14)28-19-18(13)20(31)30(21(19)3-4-33-12-21)15-8-27-29(10-15)11-22(23,24)25;1-11-3-16(13-4-15(7-26-5-13)32-10-18(24)25)28-20-12(2)30(21(31)19(11)20)14-6-27-29(8-14)9-17(22)23/h6-11H,4-5,12-13H2,1-3H3;6-10,13H,5,11H2,1-4H3,(H,27,33);6-11H,3-5,12-13H2,1-2H3;4-8,13,18-19H,9-10H2,1-3H3;5-10H,3-4,11-12H2,1-2H3;3-8,12,17-18H,9-10H2,1-2H3.
What are the key properties of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?
2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one has a molecular weight of 2870.73 g/mol, XLogP of 22.67, 34 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one is sourced from PubChem (CID 158123390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).