6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

C145H146F11N35O16 — CID 158752199

IUPAC6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)c1.CCc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC(C)C)c4)cc(C)c3C2=O)cn1.COc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(C)(C)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)c1
InChIInChI=1S/C22H25N5O3.2C21H20F3N5O2.C21H22FN5O2.C21H23N5O3.C20H19F2N5O2.C19H17F2N5O2/c1-6-26-11-16(10-24-26)27-12-18-20(22(27)28)14(4)7-17(25-18)15-8-19(30-13(2)3)21(29-5)23-9-15;2*1-4-15-18(31-3)6-13(7-25-15)16-5-12(2)19-17(27-16)10-29(20(19)30)14-8-26-28(9-14)11-21(22,23)24;1-13-5-17(14-6-16(29-4)9-23-7-14)25-18-11-27(20(28)19(13)18)15-8-24-26(10-15)12-21(2,3)22;1-5-25-11-15(10-23-25)26-12-17-19(21(26)27)13(3)7-16(24-17)14-8-18(29-6-2)20(28-4)22-9-14;1-3-29-15-5-13(6-23-8-15)16-4-12(2)19-17(25-16)10-27(20(19)28)14-7-24-26(9-14)11-18(21)22;1-11-3-15(12-4-14(28-2)7-22-5-12)24-16-9-26(19(27)18(11)16)13-6-23-25(8-13)10-17(20)21/h7-11,13H,6,12H2,1-5H3;2*5-9H,4,10-11H2,1-3H3;5-10H,11-12H2,1-4H3;7-11H,5-6,12H2,1-4H3;4-9,18H,3,10-11H2,1-2H3;3-8,17H,9-10H2,1-2H3
InChIKeyINPVYFXZGUBBRJ-UHFFFAOYSA-N
MW2843.97 g/mol
LogP24.87
Rot. Bonds38

About 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158752199) has the molecular formula C145H146F11N35O16 and a molecular weight of 2843.97 g/mol. Its IUPAC name is 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID158752199
Molecular FormulaC145H146F11N35O16
Molecular Weight2843.97 g/mol
Exact Mass2842.15
IUPAC Name6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)c1.CCc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC(C)C)c4)cc(C)c3C2=O)cn1.COc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(C)(C)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)c1
InChIInChI=1S/C22H25N5O3.2C21H20F3N5O2.C21H22FN5O2.C21H23N5O3.C20H19F2N5O2.C19H17F2N5O2/c1-6-26-11-16(10-24-26)27-12-18-20(22(27)28)14(4)7-17(25-18)15-8-19(30-13(2)3)21(29-5)23-9-15;2*1-4-15-18(31-3)6-13(7-25-15)16-5-12(2)19-17(27-16)10-29(20(19)30)14-8-26-28(9-14)11-21(22,23)24;1-13-5-17(14-6-16(29-4)9-23-7-14)25-18-11-27(20(28)19(13)18)15-8-24-26(10-15)12-21(2,3)22;1-5-25-11-15(10-23-25)26-12-17-19(21(26)27)13(3)7-16(24-17)14-8-18(29-6-2)20(28-4)22-9-14;1-3-29-15-5-13(6-23-8-15)16-4-12(2)19-17(25-16)10-27(20(19)28)14-7-24-26(9-14)11-18(21)22;1-11-3-15(12-4-14(28-2)7-22-5-12)24-16-9-26(19(27)18(11)16)13-6-23-25(8-13)10-17(20)21/h7-11,13H,6,12H2,1-5H3;2*5-9H,4,10-11H2,1-3H3;5-10H,11-12H2,1-4H3;7-11H,5-6,12H2,1-4H3;4-9,18H,3,10-11H2,1-2H3;3-8,17H,9-10H2,1-2H3
InChIKeyINPVYFXZGUBBRJ-UHFFFAOYSA-N
XLogP24.87
TPSA530.44 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds38
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002843.97
LogP ≤ 524.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-(5,6-dimethoxypyridin-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327629
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 66743362
2-(5,6-Dimethoxy-3-pyridinyl)-7,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 66743443
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxypyridin-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68044907
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045179
PI3Kgamma inhibitor 2
CID 68045182
4-cyclopropyl-2-(5,6-dimethoxypyridin-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327231
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327233
2-(5,6-dimethoxypyridin-3-yl)-4-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327270
4-(azetidin-1-yl)-2-(5,6-dimethoxypyridin-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327318
2-(5,6-dimethoxypyridin-3-yl)-6-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327320
2-(5,6-dimethoxypyridin-3-yl)-7-(2-methoxyethoxy)-6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 66742533

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 158752199) is 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is CCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)c1.CCc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC(C)C)c4)cc(C)c3C2=O)cn1.COc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(C)(C)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)c1.
What is the InChIKey of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is INPVYFXZGUBBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.2C21H20F3N5O2.C21H22FN5O2.C21H23N5O3.C20H19F2N5O2.C19H17F2N5O2/c1-6-26-11-16(10-24-26)27-12-18-20(22(27)28)14(4)7-17(25-18)15-8-19(30-13(2)3)21(29-5)23-9-15;2*1-4-15-18(31-3)6-13(7-25-15)16-5-12(2)19-17(27-16)10-29(20(19)30)14-8-26-28(9-14)11-21(22,23)24;1-13-5-17(14-6-16(29-4)9-23-7-14)25-18-11-27(20(28)19(13)18)15-8-24-26(10-15)12-21(2,3)22;1-5-25-11-15(10-23-25)26-12-17-19(21(26)27)13(3)7-16(24-17)14-8-18(29-6-2)20(28-4)22-9-14;1-3-29-15-5-13(6-23-8-15)16-4-12(2)19-17(25-16)10-27(20(19)28)14-7-24-26(9-14)11-18(21)22;1-11-3-15(12-4-14(28-2)7-22-5-12)24-16-9-26(19(27)18(11)16)13-6-23-25(8-13)10-17(20)21/h7-11,13H,6,12H2,1-5H3;2*5-9H,4,10-11H2,1-3H3;5-10H,11-12H2,1-4H3;7-11H,5-6,12H2,1-4H3;4-9,18H,3,10-11H2,1-2H3;3-8,17H,9-10H2,1-2H3.
What are the key properties of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2843.97 g/mol, XLogP of 24.87, 38 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;bis(2-(6-ethyl-5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one);6-(1-ethylpyrazol-4-yl)-2-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158752199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).