N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

C135H138F17N31O19S — CID 158431984

IUPACN-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCCCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.COc1cc(-c2cc(C)c3c(n2)C(OC(C)C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(C(=O)NC(C)(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)C2(C)C
InChIInChI=1S/C25H27F3N6O2.2C23H24F3N5O4.C22H22F3N5O4.C21H20F3N5O3S.C21H21F2N5O2/c1-14-7-18(15-8-16(10-29-9-15)21(35)32-23(2,3)4)31-20-19(14)22(36)34(24(20,5)6)17-11-30-33(12-17)13-25(26,27)28;1-12(2)35-22-19-18(21(32)31(22)15-9-28-30(10-15)11-23(24,25)26)13(3)6-16(29-19)14-7-17(33-4)20(34-5)27-8-14;1-5-6-35-22-19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-3)20(34-4)27-9-14;1-5-34-21-18-17(20(31)30(21)14-9-27-29(10-14)11-22(23,24)25)12(2)6-15(28-18)13-7-16(32-3)19(33-4)26-8-13;1-12-5-16(13-6-15(9-25-7-13)33(4,31)32)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24;1-12-5-16(13-6-15(30-4)9-24-7-13)26-19-18(12)20(29)28(21(19,2)3)14-8-25-27(10-14)11-17(22)23/h7-12H,13H2,1-6H3,(H,32,35);6-10,12,22H,11H2,1-5H3;7-11,22H,5-6,12H2,1-4H3;6-10,21H,5,11H2,1-4H3;5-10H,11H2,1-4H3;5-10,17H,11H2,1-4H3
InChIKeyHBTPOHJOMKJEJZ-UHFFFAOYSA-N
MW2853.82 g/mol
LogP24.51
Rot. Bonds35

About N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158431984) has the molecular formula C135H138F17N31O19S and a molecular weight of 2853.82 g/mol. Its IUPAC name is N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound NameN-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID158431984
Molecular FormulaC135H138F17N31O19S
Molecular Weight2853.82 g/mol
Exact Mass2852.02
IUPAC NameN-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCCCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.COc1cc(-c2cc(C)c3c(n2)C(OC(C)C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(C(=O)NC(C)(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)C2(C)C
InChIInChI=1S/C25H27F3N6O2.2C23H24F3N5O4.C22H22F3N5O4.C21H20F3N5O3S.C21H21F2N5O2/c1-14-7-18(15-8-16(10-29-9-15)21(35)32-23(2,3)4)31-20-19(14)22(36)34(24(20,5)6)17-11-30-33(12-17)13-25(26,27)28;1-12(2)35-22-19-18(21(32)31(22)15-9-28-30(10-15)11-23(24,25)26)13(3)6-16(29-19)14-7-17(33-4)20(34-5)27-8-14;1-5-6-35-22-19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-3)20(34-4)27-9-14;1-5-34-21-18-17(20(31)30(21)14-9-27-29(10-14)11-22(23,24)25)12(2)6-15(28-18)13-7-16(32-3)19(33-4)26-8-13;1-12-5-16(13-6-15(9-25-7-13)33(4,31)32)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24;1-12-5-16(13-6-15(30-4)9-24-7-13)26-19-18(12)20(29)28(21(19,2)3)14-8-25-27(10-14)11-17(22)23/h7-12H,13H2,1-6H3,(H,32,35);6-10,12,22H,11H2,1-5H3;7-11,22H,5-6,12H2,1-4H3;6-10,21H,5,11H2,1-4H3;5-10H,11H2,1-4H3;5-10,17H,11H2,1-4H3
InChIKeyHBTPOHJOMKJEJZ-UHFFFAOYSA-N
XLogP24.51
TPSA539.00 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002853.82
LogP ≤ 524.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-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 N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 158431984) is N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is CCCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.COc1cc(-c2cc(C)c3c(n2)C(OC(C)C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(C(=O)NC(C)(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)C2(C)C.
What is the InChIKey of N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HBTPOHJOMKJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2.2C23H24F3N5O4.C22H22F3N5O4.C21H20F3N5O3S.C21H21F2N5O2/c1-14-7-18(15-8-16(10-29-9-15)21(35)32-23(2,3)4)31-20-19(14)22(36)34(24(20,5)6)17-11-30-33(12-17)13-25(26,27)28;1-12(2)35-22-19-18(21(32)31(22)15-9-28-30(10-15)11-23(24,25)26)13(3)6-16(29-19)14-7-17(33-4)20(34-5)27-8-14;1-5-6-35-22-19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-3)20(34-4)27-9-14;1-5-34-21-18-17(20(31)30(21)14-9-27-29(10-14)11-22(23,24)25)12(2)6-15(28-18)13-7-16(32-3)19(33-4)26-8-13;1-12-5-16(13-6-15(9-25-7-13)33(4,31)32)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24;1-12-5-16(13-6-15(30-4)9-24-7-13)26-19-18(12)20(29)28(21(19,2)3)14-8-25-27(10-14)11-17(22)23/h7-12H,13H2,1-6H3,(H,32,35);6-10,12,22H,11H2,1-5H3;7-11,22H,5-6,12H2,1-4H3;6-10,21H,5,11H2,1-4H3;5-10H,11H2,1-4H3;5-10,17H,11H2,1-4H3.
What are the key properties of N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2853.82 g/mol, XLogP of 24.51, 35 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-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-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propan-2-yloxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-propoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158431984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).