2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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

C159H158F23N37O17 — CID 158050270

IUPAC2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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
SMILESCCOc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.CCOc1cncc(-c2cc(C)c3c(n2)[C@@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)[C@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COCc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(C(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(C(=O)NC3COC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C24H23F3N6O3.C23H22F5N5O2.C23H23F3N6O2.C23H24F3N5O2.2C22H22F3N5O3.C22H22F3N5O2/c1-13-4-18(14-5-15(7-28-6-14)21(34)30-16-10-36-11-16)31-20-19(13)22(35)33(23(20,2)3)17-8-29-32(9-17)12-24(25,26)27;1-12-5-16(14-6-17(13(2)29-7-14)35-10-18(24)25)31-20-19(12)21(34)33(22(20,3)4)15-8-30-32(9-15)11-23(26,27)28;1-13-6-17(14-7-15(9-27-8-14)20(33)30(4)5)29-19-18(13)21(34)32(22(19,2)3)16-10-28-31(11-16)12-23(24,25)26;1-6-33-18-8-15(9-27-14(18)3)17-7-13(2)19-20(29-17)22(4,5)31(21(19)32)16-10-28-30(11-16)12-23(24,25)26;2*1-5-33-16-7-14(8-26-10-16)17-6-13(2)18-19(28-17)21(3,32-4)30(20(18)31)15-9-27-29(11-15)12-22(23,24)25;1-13-5-17(15-6-14(11-32-4)7-26-8-15)28-19-18(13)20(31)30(21(19,2)3)16-9-27-29(10-16)12-22(23,24)25/h4-9,16H,10-12H2,1-3H3,(H,30,34);5-9,18H,10-11H2,1-4H3;6-11H,12H2,1-5H3;7-11H,6,12H2,1-5H3;2*6-11H,5,12H2,1-4H3;5-10H,11-12H2,1-4H3/t;;;;2*21-;/m....10./s1
InChIKeyFJJWVQDLMSWMAA-BCLPOZPNSA-N
MW3296.21 g/mol
LogP29.35
Rot. Bonds37

About 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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 (PubChem CID 158050270) has the molecular formula C159H158F23N37O17 and a molecular weight of 3296.21 g/mol. Its IUPAC name is 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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.

Molecular Properties

Compound Name2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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
PubChem CID158050270
Molecular FormulaC159H158F23N37O17
Molecular Weight3296.21 g/mol
Exact Mass3294.23
IUPAC Name2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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
SMILESCCOc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.CCOc1cncc(-c2cc(C)c3c(n2)[C@@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)[C@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COCc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(C(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(C(=O)NC3COC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C24H23F3N6O3.C23H22F5N5O2.C23H23F3N6O2.C23H24F3N5O2.2C22H22F3N5O3.C22H22F3N5O2/c1-13-4-18(14-5-15(7-28-6-14)21(34)30-16-10-36-11-16)31-20-19(13)22(35)33(23(20,2)3)17-8-29-32(9-17)12-24(25,26)27;1-12-5-16(14-6-17(13(2)29-7-14)35-10-18(24)25)31-20-19(12)21(34)33(22(20,3)4)15-8-30-32(9-15)11-23(26,27)28;1-13-6-17(14-7-15(9-27-8-14)20(33)30(4)5)29-19-18(13)21(34)32(22(19,2)3)16-10-28-31(11-16)12-23(24,25)26;1-6-33-18-8-15(9-27-14(18)3)17-7-13(2)19-20(29-17)22(4,5)31(21(19)32)16-10-28-30(11-16)12-23(24,25)26;2*1-5-33-16-7-14(8-26-10-16)17-6-13(2)18-19(28-17)21(3,32-4)30(20(18)31)15-9-27-29(11-15)12-22(23,24)25;1-13-5-17(15-6-14(11-32-4)7-26-8-15)28-19-18(13)20(31)30(21(19,2)3)16-9-27-29(10-16)12-22(23,24)25/h4-9,16H,10-12H2,1-3H3,(H,30,34);5-9,18H,10-11H2,1-4H3;6-11H,12H2,1-5H3;7-11H,6,12H2,1-5H3;2*6-11H,5,12H2,1-4H3;5-10H,11-12H2,1-4H3/t;;;;2*21-;/m....10./s1
InChIKeyFJJWVQDLMSWMAA-BCLPOZPNSA-N
XLogP29.35
TPSA570.62 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds37
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003296.21
LogP ≤ 529.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Analyze 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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 with MolForge

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Related Compounds

US12473304, Example 614
CID 156828815
US12473304, Example 511
CID 156829199
US12473304, Example 601
CID 156829549
2'-(5-Methoxypyridin-3-yl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 68045801
2'-(5-Ethoxypyridin-3-yl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 68045812
2-methoxy-N-[(3S)-oxolan-3-yl]-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
CID 68045817
2-methoxy-N-[(3R)-oxolan-3-yl]-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
CID 68045822
(3S)-2'-(5-ethoxypyridin-3-yl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 68045832
(3R)-2'-(5-ethoxypyridin-3-yl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 68045833
2'-(5-Ethoxy-6-methylpyridin-3-yl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 68045851
2-methoxy-N-(oxolan-3-yl)-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
CID 77400228
2-ethoxy-N-[(3S)-oxolan-3-yl]-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
CID 131995181

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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?
The IUPAC name of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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 (CID 158050270) is 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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.
What is the SMILES notation for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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?
The canonical SMILES for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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 is CCOc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1C.CCOc1cncc(-c2cc(C)c3c(n2)[C@@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)[C@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COCc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(C(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(C(=O)NC3COC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.
What is the InChIKey of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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?
The InChIKey is FJJWVQDLMSWMAA-BCLPOZPNSA-N. The full InChI is InChI=1S/C24H23F3N6O3.C23H22F5N5O2.C23H23F3N6O2.C23H24F3N5O2.2C22H22F3N5O3.C22H22F3N5O2/c1-13-4-18(14-5-15(7-28-6-14)21(34)30-16-10-36-11-16)31-20-19(13)22(35)33(23(20,2)3)17-8-29-32(9-17)12-24(25,26)27;1-12-5-16(14-6-17(13(2)29-7-14)35-10-18(24)25)31-20-19(12)21(34)33(22(20,3)4)15-8-30-32(9-15)11-23(26,27)28;1-13-6-17(14-7-15(9-27-8-14)20(33)30(4)5)29-19-18(13)21(34)32(22(19,2)3)16-10-28-31(11-16)12-23(24,25)26;1-6-33-18-8-15(9-27-14(18)3)17-7-13(2)19-20(29-17)22(4,5)31(21(19)32)16-10-28-30(11-16)12-23(24,25)26;2*1-5-33-16-7-14(8-26-10-16)17-6-13(2)18-19(28-17)21(3,32-4)30(20(18)31)15-9-27-29(11-15)12-22(23,24)25;1-13-5-17(15-6-14(11-32-4)7-26-8-15)28-19-18(13)20(31)30(21(19,2)3)16-9-27-29(10-16)12-22(23,24)25/h4-9,16H,10-12H2,1-3H3,(H,30,34);5-9,18H,10-11H2,1-4H3;6-11H,12H2,1-5H3;7-11H,6,12H2,1-5H3;2*6-11H,5,12H2,1-4H3;5-10H,11-12H2,1-4H3/t;;;;2*21-;/m....10./s1.
What are the key properties of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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 has a molecular weight of 3296.21 g/mol, XLogP of 29.35, 37 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-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-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-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 is sourced from PubChem (CID 158050270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).