2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

C137H134F18N32O17S2 — CID 159809870

IUPAC2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cncc(-c2cc(C)c3c(n2)C2(CC(O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)CO.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1COC1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C25H25F3N6O4.C25H27F3N6O4.C23H22F3N5O2.C22H20F3N5O3.2C21H20F3N5O2S/c1-13-5-18(14-6-17(22(37-4)29-7-14)21(35)31-15-10-38-11-15)32-20-19(13)23(36)34(24(20,2)3)16-8-30-33(9-16)12-25(26,27)28;1-13-6-18(15-7-17(22(38-5)29-8-15)21(36)31-14(2)11-35)32-20-19(13)23(37)34(24(20,3)4)16-9-30-33(10-16)12-25(26,27)28;1-13-6-18(14-7-17(10-27-8-14)33-16-4-5-16)29-20-19(13)21(32)31(22(20,2)3)15-9-28-30(11-15)12-23(24,25)26;1-12-3-17(13-4-16(33-2)9-26-7-13)28-19-18(12)20(32)30(21(19)5-15(31)6-21)14-8-27-29(10-14)11-22(23,24)25;2*1-12-5-16(13-6-15(32(4)31)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24/h5-9,15H,10-12H2,1-4H3,(H,31,35);6-10,14,35H,11-12H2,1-5H3,(H,31,36);6-11,16H,4-5,12H2,1-3H3;3-4,7-10,15,31H,5-6,11H2,1-2H3;2*5-10H,11H2,1-4H3/t;;;;2*32-/m....10/s1
InChIKeyNKWPMXRMNHPOSU-ALUVFCKZSA-N
MW2906.88 g/mol
LogP22.03
Rot. Bonds30

About 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 159809870) has the molecular formula C137H134F18N32O17S2 and a molecular weight of 2906.88 g/mol. Its IUPAC name is 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID159809870
Molecular FormulaC137H134F18N32O17S2
Molecular Weight2906.88 g/mol
Exact Mass2904.98
IUPAC Name2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cncc(-c2cc(C)c3c(n2)C2(CC(O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)CO.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1COC1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C25H25F3N6O4.C25H27F3N6O4.C23H22F3N5O2.C22H20F3N5O3.2C21H20F3N5O2S/c1-13-5-18(14-6-17(22(37-4)29-7-14)21(35)31-15-10-38-11-15)32-20-19(13)23(36)34(24(20,2)3)16-8-30-33(9-16)12-25(26,27)28;1-13-6-18(15-7-17(22(38-5)29-8-15)21(36)31-14(2)11-35)32-20-19(13)23(37)34(24(20,3)4)16-9-30-33(10-16)12-25(26,27)28;1-13-6-18(14-7-17(10-27-8-14)33-16-4-5-16)29-20-19(13)21(32)31(22(20,2)3)15-9-28-30(11-15)12-23(24,25)26;1-12-3-17(13-4-16(33-2)9-26-7-13)28-19-18(12)20(32)30(21(19)5-15(31)6-21)14-8-27-29(10-14)11-22(23,24)25;2*1-12-5-16(13-6-15(32(4)31)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24/h5-9,15H,10-12H2,1-4H3,(H,31,35);6-10,14,35H,11-12H2,1-5H3,(H,31,36);6-11,16H,4-5,12H2,1-3H3;3-4,7-10,15,31H,5-6,11H2,1-2H3;2*5-10H,11H2,1-4H3/t;;;;2*32-/m....10/s1
InChIKeyNKWPMXRMNHPOSU-ALUVFCKZSA-N
XLogP22.03
TPSA562.41 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002906.88
LogP ≤ 522.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Analyze 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 159809870) is 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is COc1cncc(-c2cc(C)c3c(n2)C2(CC(O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)CO.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1COC1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.
What is the InChIKey of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is NKWPMXRMNHPOSU-ALUVFCKZSA-N. The full InChI is InChI=1S/C25H25F3N6O4.C25H27F3N6O4.C23H22F3N5O2.C22H20F3N5O3.2C21H20F3N5O2S/c1-13-5-18(14-6-17(22(37-4)29-7-14)21(35)31-15-10-38-11-15)32-20-19(13)23(36)34(24(20,2)3)16-8-30-33(9-16)12-25(26,27)28;1-13-6-18(15-7-17(22(38-5)29-8-15)21(36)31-14(2)11-35)32-20-19(13)23(37)34(24(20,3)4)16-9-30-33(10-16)12-25(26,27)28;1-13-6-18(14-7-17(10-27-8-14)33-16-4-5-16)29-20-19(13)21(32)31(22(20,2)3)15-9-28-30(11-15)12-23(24,25)26;1-12-3-17(13-4-16(33-2)9-26-7-13)28-19-18(12)20(32)30(21(19)5-15(31)6-21)14-8-27-29(10-14)11-22(23,24)25;2*1-12-5-16(13-6-15(32(4)31)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24/h5-9,15H,10-12H2,1-4H3,(H,31,35);6-10,14,35H,11-12H2,1-5H3,(H,31,36);6-11,16H,4-5,12H2,1-3H3;3-4,7-10,15,31H,5-6,11H2,1-2H3;2*5-10H,11H2,1-4H3/t;;;;2*32-/m....10/s1.
What are the key properties of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2906.88 g/mol, XLogP of 22.03, 30 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-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-methoxy-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;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 159809870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).