1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one

C158H146F22N38O21 — CID 158685422

About 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one

1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one (PubChem CID 158685422) has the molecular formula C158H146F22N38O21 and a molecular weight of 3331.11 g/mol. Its IUPAC name is 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one.

Molecular Properties

• Compound Name: 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
• PubChem CID: 158685422
• Molecular Formula: C158H146F22N38O21
• Molecular Weight: 3331.11 g/mol
• Exact Mass: 3329.12
• IUPAC Name: 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
• SMILES: CCNC(=O)c1cc(-c2ccc3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c[nH]c1=O.CCOc1cc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1F.COc1cc(-c2ccc3c(n2)C2(CCCC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C2(CN(C(C)=O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CNC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1
• InChI: InChI=1S/C24H22F3N5O3.C24H24F3N5O3.C23H21F3N6O3.C23H22F3N5O3.C22H19F4N5O3.C21H19F3N6O4.C21H19F3N6O2/c1-14-6-19(15-7-18(10-28-8-15)35-17-2-3-17)30-21-20(14)22(33)32(23(21)4-5-34-13-23)16-9-29-31(11-16)12-24(25,26)27;1-4-35-19-8-16(9-28-15(19)3)18-7-14(2)20-21(30-18)23(5-6-34-13-23)32(22(20)33)17-10-29-31(11-17)12-24(25,26)27;1-13-4-18(15-5-17(35-3)8-27-6-15)29-20-19(13)21(34)32(22(20)10-30(11-22)14(2)33)16-7-28-31(9-16)12-23(24,25)26;1-33-18-9-14(10-27-20(18)34-2)17-6-5-16-19(29-17)22(7-3-4-8-22)31(21(16)32)15-11-28-30(12-15)13-23(24,25)26;1-12-5-15(13-6-16(33-2)19(23)27-7-13)29-18-17(12)20(32)31(21(18)3-4-34-11-21)14-8-28-30(9-14)10-22(24,25)26;1-3-25-17(31)14-6-11(7-26-18(14)32)15-5-4-13-16(28-15)20(34-2)30(19(13)33)12-8-27-29(9-12)10-21(22,23)24;1-12-3-16(13-4-15(32-2)7-25-5-13)28-18-17(12)19(31)30(20(18)9-26-10-20)14-6-27-29(8-14)11-21(22,23)24/h6-11,17H,2-5,12-13H2,1H3;7-11H,4-6,12-13H2,1-3H3;4-9H,10-12H2,1-3H3;5-6,9-12H,3-4,7-8,13H2,1-2H3;5-9H,3-4,10-11H2,1-2H3;4-9,20H,3,10H2,1-2H3,(H,25,31)(H,26,32);3-8,26H,9-11H2,1-2H3
• InChIKey: IFRDSBHEXWPOQT-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 630.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 49
• Rotatable Bonds: 33
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3331.11
LogP ≤ 5	24.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?

The IUPAC name of 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one (CID 158685422) is 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one.

What is the SMILES notation for 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?

The canonical SMILES for 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one is CCNC(=O)c1cc(-c2ccc3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c[nH]c1=O.CCOc1cc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1F.COc1cc(-c2ccc3c(n2)C2(CCCC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C2(CN(C(C)=O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CNC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1.

What is the InChIKey of 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?

The InChIKey is IFRDSBHEXWPOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3.C24H24F3N5O3.C23H21F3N6O3.C23H22F3N5O3.C22H19F4N5O3.C21H19F3N6O4.C21H19F3N6O2/c1-14-6-19(15-7-18(10-28-8-15)35-17-2-3-17)30-21-20(14)22(33)32(23(21)4-5-34-13-23)16-9-29-31(11-16)12-24(25,26)27;1-4-35-19-8-16(9-28-15(19)3)18-7-14(2)20-21(30-18)23(5-6-34-13-23)32(22(20)33)17-10-29-31(11-17)12-24(25,26)27;1-13-4-18(15-5-17(35-3)8-27-6-15)29-20-19(13)21(34)32(22(20)10-30(11-22)14(2)33)16-7-28-31(9-16)12-23(24,25)26;1-33-18-9-14(10-27-20(18)34-2)17-6-5-16-19(29-17)22(7-3-4-8-22)31(21(16)32)15-11-28-30(12-15)13-23(24,25)26;1-12-5-15(13-6-16(33-2)19(23)27-7-13)29-18-17(12)20(32)31(21(18)3-4-34-11-21)14-8-28-30(9-14)10-22(24,25)26;1-3-25-17(31)14-6-11(7-26-18(14)32)15-5-4-13-16(28-15)20(34-2)30(19(13)33)12-8-27-29(9-12)10-21(22,23)24;1-12-3-16(13-4-15(32-2)7-25-5-13)28-18-17(12)19(31)30(20(18)9-26-10-20)14-6-27-29(8-14)11-21(22,23)24/h6-11,17H,2-5,12-13H2,1H3;7-11H,4-6,12-13H2,1-3H3;4-9H,10-12H2,1-3H3;5-6,9-12H,3-4,7-8,13H2,1-2H3;5-9H,3-4,10-11H2,1-2H3;4-9,20H,3,10H2,1-2H3,(H,25,31)(H,26,32);3-8,26H,9-11H2,1-2H3.

What are the key properties of 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one?

1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one has a molecular weight of 3331.11 g/mol, XLogP of 24.07, 33 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-cyclopropyloxy-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'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-ethoxy-6-methyl-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-ethyl-5-[7-methoxy-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-oxo-1H-pyridine-3-carboxamide;2'-(6-fluoro-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-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[azetidine-3,7'-pyrrolo[3,4-b]pyridine]-5'-one is sourced from PubChem (CID 158685422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).