2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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

C133H134F11N33O13 — CID 159276663

IUPAC2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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
SMILESCCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC#N)c2)C3=O)c1.CCc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)[C@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2ccn(C[C@H](C)O)n2)C3=O)c1.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC#N)c1)C2(C)C
InChIInChI=1S/C23H23F3N6O2.C23H24F3N5O2.C22H20F2N6O2.C22H22N6O2.C22H25N5O3.C21H20F3N5O2/c1-5-28-20(33)15-7-14(8-27-9-15)17-6-13(2)18-19(30-17)22(3,4)32(21(18)34)16-10-29-31(11-16)12-23(24,25)26;1-6-16-18(33-5)8-14(9-27-16)17-7-13(2)19-20(29-17)22(3,4)31(21(19)32)15-10-28-30(11-15)12-23(24,25)26;1-13-6-17(14-7-16(10-26-8-14)32-12-18(23)24)28-20-19(13)21(31)30(22(20,2)3)15-9-27-29(11-15)5-4-25;1-5-30-17-9-15(10-24-12-17)18-8-14(2)19-20(26-18)22(3,4)28(21(19)29)16-11-25-27(13-16)7-6-23;1-13-8-17(15-9-16(30-5)11-23-10-15)24-20-19(13)21(29)27(22(20,3)4)18-6-7-26(25-18)12-14(2)28;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/h6-11H,5,12H2,1-4H3,(H,28,33);7-11H,6,12H2,1-5H3;6-11,18H,5,12H2,1-3H3;8-13H,5,7H2,1-4H3;6-11,14,28H,12H2,1-5H3;5-9,13H,10H2,1-4H3/t;;;;14-;13-/m....00/s1
InChIKeyKYJVPEWNDTYHEU-SOZVRLHZSA-N
MW2611.73 g/mol
LogP22.89
Rot. Bonds30

About 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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 (PubChem CID 159276663) has the molecular formula C133H134F11N33O13 and a molecular weight of 2611.73 g/mol. Its IUPAC name is 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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.

Molecular Properties

Compound Name2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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
PubChem CID159276663
Molecular FormulaC133H134F11N33O13
Molecular Weight2611.73 g/mol
Exact Mass2610.07
IUPAC Name2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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
SMILESCCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC#N)c2)C3=O)c1.CCc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)[C@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2ccn(C[C@H](C)O)n2)C3=O)c1.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC#N)c1)C2(C)C
InChIInChI=1S/C23H23F3N6O2.C23H24F3N5O2.C22H20F2N6O2.C22H22N6O2.C22H25N5O3.C21H20F3N5O2/c1-5-28-20(33)15-7-14(8-27-9-15)17-6-13(2)18-19(30-17)22(3,4)32(21(18)34)16-10-29-31(11-16)12-23(24,25)26;1-6-16-18(33-5)8-14(9-27-16)17-7-13(2)19-20(29-17)22(3,4)31(21(19)32)15-10-28-30(11-15)12-23(24,25)26;1-13-6-17(14-7-16(10-26-8-14)32-12-18(23)24)28-20-19(13)21(31)30(22(20,2)3)15-9-27-29(11-15)5-4-25;1-5-30-17-9-15(10-24-12-17)18-8-14(2)19-20(26-18)22(3,4)28(21(19)29)16-11-25-27(13-16)7-6-23;1-13-8-17(15-9-16(30-5)11-23-10-15)24-20-19(13)21(29)27(22(20,3)4)18-6-7-26(25-18)12-14(2)28;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/h6-11H,5,12H2,1-4H3,(H,28,33);7-11H,6,12H2,1-5H3;6-11,18H,5,12H2,1-3H3;8-13H,5,7H2,1-4H3;6-11,14,28H,12H2,1-5H3;5-9,13H,10H2,1-4H3/t;;;;14-;13-/m....00/s1
InChIKeyKYJVPEWNDTYHEU-SOZVRLHZSA-N
XLogP22.89
TPSA526.52 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002611.73
LogP ≤ 522.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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?
The IUPAC name of 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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 (CID 159276663) is 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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.
What is the SMILES notation for 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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?
The canonical SMILES for 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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 is CCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC#N)c2)C3=O)c1.CCc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)[C@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2ccn(C[C@H](C)O)n2)C3=O)c1.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC#N)c1)C2(C)C.
What is the InChIKey of 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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?
The InChIKey is KYJVPEWNDTYHEU-SOZVRLHZSA-N. The full InChI is InChI=1S/C23H23F3N6O2.C23H24F3N5O2.C22H20F2N6O2.C22H22N6O2.C22H25N5O3.C21H20F3N5O2/c1-5-28-20(33)15-7-14(8-27-9-15)17-6-13(2)18-19(30-17)22(3,4)32(21(18)34)16-10-29-31(11-16)12-23(24,25)26;1-6-16-18(33-5)8-14(9-27-16)17-7-13(2)19-20(29-17)22(3,4)31(21(19)32)15-10-28-30(11-15)12-23(24,25)26;1-13-6-17(14-7-16(10-26-8-14)32-12-18(23)24)28-20-19(13)21(31)30(22(20,2)3)15-9-27-29(11-15)5-4-25;1-5-30-17-9-15(10-24-12-17)18-8-14(2)19-20(26-18)22(3,4)28(21(19)29)16-11-25-27(13-16)7-6-23;1-13-8-17(15-9-16(30-5)11-23-10-15)24-20-19(13)21(29)27(22(20,3)4)18-6-7-26(25-18)12-14(2)28;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/h6-11H,5,12H2,1-4H3,(H,28,33);7-11H,6,12H2,1-5H3;6-11,18H,5,12H2,1-3H3;8-13H,5,7H2,1-4H3;6-11,14,28H,12H2,1-5H3;5-9,13H,10H2,1-4H3/t;;;;14-;13-/m....00/s1.
What are the key properties of 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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 has a molecular weight of 2611.73 g/mol, XLogP of 22.89, 30 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-ethyl-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-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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 is sourced from PubChem (CID 159276663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).