6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one

C162H163F18N35O25 — CID 157424123

IUPAC6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one
SMILESCCO[C@@H]1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCO[C@H]1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1ncc(-c2cc(C)c3c(n2)[C@@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)[C@@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC(C)C.COc1cc(-c2cc(C)c3c(n2)[C@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC(C)C.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(C4CC4)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1
InChIInChI=1S/2C25H26F3N5O4.C24H24F3N5O4.2C22H22F3N5O4.C22H20F3N5O3.C22H23N5O2/c2*1-14(2)37-22-19(35-4)9-16(10-29-22)18-8-15(3)20-21(31-18)24(6-5-7-36-24)33(23(20)34)17-11-30-32(12-17)13-25(26,27)28;1-4-35-21-18(34-3)9-15(10-28-21)17-8-14(2)19-20(30-17)23(6-5-7-36-23)32(22(19)33)16-11-29-31(12-16)13-24(25,26)27;2*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;1-13-6-17(14-7-16(32-2)10-26-8-14)28-19-18(13)20(31)30(21(19)4-3-5-33-21)15-9-27-29(11-15)12-22(23,24)25;1-13-7-18(14-8-17(29-4)11-23-9-14)25-20-19(13)21(28)27(22(20,2)3)16-10-24-26(12-16)15-5-6-15/h2*8-12,14H,5-7,13H2,1-4H3;8-12H,4-7,13H2,1-3H3;2*6-10,21H,5,11H2,1-4H3;6-11H,3-5,12H2,1-2H3;7-12,15H,5-6H2,1-4H3/t2*24-;23-;2*21-;;/m10010../s1
InChIKeyBPTKERXHGMLHCC-IDIJAYMBSA-N
MW3342.27 g/mol
LogP29.08
Rot. Bonds40

About 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one

6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one (PubChem CID 157424123) has the molecular formula C162H163F18N35O25 and a molecular weight of 3342.27 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one
PubChem CID157424123
Molecular FormulaC162H163F18N35O25
Molecular Weight3342.27 g/mol
Exact Mass3340.23
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one
SMILESCCO[C@@H]1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCO[C@H]1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1ncc(-c2cc(C)c3c(n2)[C@@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)[C@@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC(C)C.COc1cc(-c2cc(C)c3c(n2)[C@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC(C)C.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(C4CC4)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1
InChIInChI=1S/2C25H26F3N5O4.C24H24F3N5O4.2C22H22F3N5O4.C22H20F3N5O3.C22H23N5O2/c2*1-14(2)37-22-19(35-4)9-16(10-29-22)18-8-15(3)20-21(31-18)24(6-5-7-36-24)33(23(20)34)17-11-30-32(12-17)13-25(26,27)28;1-4-35-21-18(34-3)9-15(10-28-21)17-8-14(2)19-20(30-17)23(6-5-7-36-23)32(22(19)33)16-11-29-31(12-16)13-24(25,26)27;2*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;1-13-6-17(14-7-16(32-2)10-26-8-14)28-19-18(13)20(31)30(21(19)4-3-5-33-21)15-9-27-29(11-15)12-22(23,24)25;1-13-7-18(14-8-17(29-4)11-23-9-14)25-20-19(13)21(28)27(22(20,2)3)16-10-24-26(12-16)15-5-6-15/h2*8-12,14H,5-7,13H2,1-4H3;8-12H,4-7,13H2,1-3H3;2*6-10,21H,5,11H2,1-4H3;6-11H,3-5,12H2,1-2H3;7-12,15H,5-6H2,1-4H3/t2*24-;23-;2*21-;;/m10010../s1
InChIKeyBPTKERXHGMLHCC-IDIJAYMBSA-N
XLogP29.08
TPSA613.51 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds40
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003342.27
LogP ≤ 529.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one (CID 157424123) is 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one is CCO[C@@H]1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCO[C@H]1c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1ncc(-c2cc(C)c3c(n2)[C@@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)[C@@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC(C)C.COc1cc(-c2cc(C)c3c(n2)[C@]2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC(C)C.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(C4CC4)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.
What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The InChIKey is BPTKERXHGMLHCC-IDIJAYMBSA-N. The full InChI is InChI=1S/2C25H26F3N5O4.C24H24F3N5O4.2C22H22F3N5O4.C22H20F3N5O3.C22H23N5O2/c2*1-14(2)37-22-19(35-4)9-16(10-29-22)18-8-15(3)20-21(31-18)24(6-5-7-36-24)33(23(20)34)17-11-30-32(12-17)13-25(26,27)28;1-4-35-21-18(34-3)9-15(10-28-21)17-8-14(2)19-20(30-17)23(6-5-7-36-23)32(22(19)33)16-11-29-31(12-16)13-24(25,26)27;2*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;1-13-6-17(14-7-16(32-2)10-26-8-14)28-19-18(13)20(31)30(21(19)4-3-5-33-21)15-9-27-29(11-15)12-22(23,24)25;1-13-7-18(14-8-17(29-4)11-23-9-14)25-20-19(13)21(28)27(22(20,2)3)16-10-24-26(12-16)15-5-6-15/h2*8-12,14H,5-7,13H2,1-4H3;8-12H,4-7,13H2,1-3H3;2*6-10,21H,5,11H2,1-4H3;6-11H,3-5,12H2,1-2H3;7-12,15H,5-6H2,1-4H3/t2*24-;23-;2*21-;;/m10010../s1.
What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one?
6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one has a molecular weight of 3342.27 g/mol, XLogP of 29.08, 40 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(7S)-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;(7R)-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;(2S)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2R)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;(2S)-2'-(5-methoxy-6-propan-2-yloxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-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-2,7'-pyrrolo[3,4-b]pyridine]-5'-one is sourced from PubChem (CID 157424123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).