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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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

C156H163F15N36O22S — CID 159267771

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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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

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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 159267771) has the molecular formula C156H163F15N36O22S and a molecular weight of 3211.29 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 Name: 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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: 159267771
• Molecular Formula: C156H163F15N36O22S
• Molecular Weight: 3211.29 g/mol
• Exact Mass: 3209.22
• IUPAC Name: 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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
• SMILES: CCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(COCCOC)c2)C3=O)c1.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1ncc(-c2ccc3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1O.Cc1cc(-c2cncc(C(=O)NC(C)(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.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)C2(C)C
• InChI: InChI=1S/C25H27F3N6O2.C24H29N5O4.C23H24F3N5O2.C22H22F3N5O4.C22H25N5O4.C21H20F3N5O3S.C19H16F3N5O3/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;1-6-33-19-10-17(11-25-13-19)20-9-16(2)21-22(27-20)24(3,4)29(23(21)30)18-12-26-28(14-18)15-32-8-7-31-5;1-13(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;1-5-34-21-18-17(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;1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28;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;1-10-16-13(3-4-14(25-16)11-5-15(28)17(30-2)23-6-11)18(29)27(10)12-7-24-26(8-12)9-19(20,21)22/h7-12H,13H2,1-6H3,(H,32,35);9-14H,6-8,15H2,1-5H3;6-11,13H,12H2,1-5H3;6-10,21H,5,11H2,1-4H3;6-9,11,13-14,28H,10H2,1-5H3;5-10H,11H2,1-4H3;3-8,10,28H,9H2,1-2H3/t;;;;13-,14?;;/m....1../s1
• InChIKey: KXHZPSPRHXXUPF-XSNAYWCHSA-N
• XLogP: 26.63
• TPSA: 643.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 50
• Rotatable Bonds: 39
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3211.29
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 159267771) 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 CCOC1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(COCCOC)c2)C3=O)c1.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1ncc(-c2ccc3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1O.Cc1cc(-c2cncc(C(=O)NC(C)(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.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)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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 KXHZPSPRHXXUPF-XSNAYWCHSA-N. The full InChI is InChI=1S/C25H27F3N6O2.C24H29N5O4.C23H24F3N5O2.C22H22F3N5O4.C22H25N5O4.C21H20F3N5O3S.C19H16F3N5O3/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;1-6-33-19-10-17(11-25-13-19)20-9-16(2)21-22(27-20)24(3,4)29(23(21)30)18-12-26-28(14-18)15-32-8-7-31-5;1-13(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;1-5-34-21-18-17(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;1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28;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;1-10-16-13(3-4-14(25-16)11-5-15(28)17(30-2)23-6-11)18(29)27(10)12-7-24-26(8-12)9-19(20,21)22/h7-12H,13H2,1-6H3,(H,32,35);9-14H,6-8,15H2,1-5H3;6-11,13H,12H2,1-5H3;6-10,21H,5,11H2,1-4H3;6-9,11,13-14,28H,10H2,1-5H3;5-10H,11H2,1-4H3;3-8,10,28H,9H2,1-2H3/t;;;;13-,14?;;/m....1../s1.

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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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?

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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 3211.29 g/mol, XLogP of 26.63, 39 rotatable bonds, 3 hydrogen bond donors, and 50 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;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)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-7-methyl-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;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 159267771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).