2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

C92H83F4N25O9 — CID 157311523

IUPAC2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
SMILESCC1(O)CN(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)CC[C@H]1O.CN1CC2(CCN(c3ccn(-c4cc(-c5c(F)cccc5C#N)nc5c4C(=O)NC5)n3)CC2)C1.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3C[C@@H](O)[C@@H](O)C3)n2)c2c(n1)CNC2=O.[2H]C1([2H])NC(=O)c2c(-n3ccc(N4CCC[C@@](C)(O)C4)n3)cc(-c3c(F)cccc3C#N)nc21
InChIInChI=1S/C25H24FN7O.C23H21FN6O3.C23H21FN6O2.C21H17FN6O3/c1-31-14-25(15-31)6-9-32(10-7-25)21-5-8-33(30-21)20-11-18(29-19-13-28-24(34)23(19)20)22-16(12-27)3-2-4-17(22)26;1-23(33)12-29(7-5-18(23)31)19-6-8-30(28-19)17-9-15(27-16-11-26-22(32)21(16)17)20-13(10-25)3-2-4-14(20)24;1-23(32)7-3-8-29(13-23)19-6-9-30(28-19)18-10-16(27-17-12-26-22(31)21(17)18)20-14(11-25)4-2-5-15(20)24;22-12-3-1-2-11(7-23)19(12)13-6-15(20-14(25-13)8-24-21(20)31)28-5-4-18(26-28)27-9-16(29)17(30)10-27/h2-5,8,11H,6-7,9-10,13-15H2,1H3,(H,28,34);2-4,6,8-9,18,31,33H,5,7,11-12H2,1H3,(H,26,32);2,4-6,9-10,32H,3,7-8,12-13H2,1H3,(H,26,31);1-6,16-17,29-30H,8-10H2,(H,24,31)/t;18-,23?;23-;16-,17+/m.11./s1/i;;12D2;
InChIKeyBDCCNLWJUPDPGJ-CQNHBSGHSA-N
MW1760.85 g/mol
LogP7.50
Rot. Bonds12

About 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile (PubChem CID 157311523) has the molecular formula C92H83F4N25O9 and a molecular weight of 1760.85 g/mol. Its IUPAC name is 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
PubChem CID157311523
Molecular FormulaC92H83F4N25O9
Molecular Weight1760.85 g/mol
Exact Mass1759.69
IUPAC Name2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
SMILESCC1(O)CN(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)CC[C@H]1O.CN1CC2(CCN(c3ccn(-c4cc(-c5c(F)cccc5C#N)nc5c4C(=O)NC5)n3)CC2)C1.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3C[C@@H](O)[C@@H](O)C3)n2)c2c(n1)CNC2=O.[2H]C1([2H])NC(=O)c2c(-n3ccc(N4CCC[C@@](C)(O)C4)n3)cc(-c3c(F)cccc3C#N)nc21
InChIInChI=1S/C25H24FN7O.C23H21FN6O3.C23H21FN6O2.C21H17FN6O3/c1-31-14-25(15-31)6-9-32(10-7-25)21-5-8-33(30-21)20-11-18(29-19-13-28-24(34)23(19)20)22-16(12-27)3-2-4-17(22)26;1-23(33)12-29(7-5-18(23)31)19-6-8-30(28-19)17-9-15(27-16-11-26-22(32)21(16)17)20-13(10-25)3-2-4-14(20)24;1-23(32)7-3-8-29(13-23)19-6-9-30(28-19)18-10-16(27-17-12-26-22(31)21(17)18)20-14(11-25)4-2-5-15(20)24;22-12-3-1-2-11(7-23)19(12)13-6-15(20-14(25-13)8-24-21(20)31)28-5-4-18(26-28)27-9-16(29)17(30)10-27/h2-5,8,11H,6-7,9-10,13-15H2,1H3,(H,28,34);2-4,6,8-9,18,31,33H,5,7,11-12H2,1H3,(H,26,32);2,4-6,9-10,32H,3,7-8,12-13H2,1H3,(H,26,31);1-6,16-17,29-30H,8-10H2,(H,24,31)/t;18-,23?;23-;16-,17+/m.11./s1/i;;12D2;
InChIKeyBDCCNLWJUPDPGJ-CQNHBSGHSA-N
XLogP7.50
TPSA451.75 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001760.85
LogP ≤ 57.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[3-[(3R,4S)-3,4-dihydroxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126642343
2-[4-[3-[(3S,4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126642376
2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126642338
2-[4-[3-[(3R,4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126642369
2-[4-[3-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126642408
2-[4-[3-[(3S)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 165437089
2-[4-[3-[(4R)-3,4-dihydroxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126672153
2-[4-[3-(3,4-Dihydroxypiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126677613
3-Fluoro-2-[4-[3-[3-hydroxy-3-[hydroxy(pyrrolidin-1-yl)methyl]pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126677673
2-[4-[3-(3,4-Dihydroxy-3-methylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 126678677
2-[4-[3-[(3R)-3-aminopiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[3-amino-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(3-hydroxypyrrolidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(4,5,6,7-tetrahydropyrazolo[3,4-b]pyridin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 157194430
4-[4-[3-(4,4-difluoropiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3,5-difluorobenzonitrile;2-(2,2-dimethylazepan-1-yl)-4-(3-morpholin-4-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[(1R,5S)-1-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-4-[3-(oxan-4-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[(1R,5S)-1-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-4-[3-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;trans-(1S,2R)-2-[4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]cycloheptane-1-carbonitrile
CID 158254424

Frequently Asked Questions

What is the IUPAC name of 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The IUPAC name of 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile (CID 157311523) is 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The canonical SMILES for 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile is CC1(O)CN(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)CC[C@H]1O.CN1CC2(CCN(c3ccn(-c4cc(-c5c(F)cccc5C#N)nc5c4C(=O)NC5)n3)CC2)C1.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3C[C@@H](O)[C@@H](O)C3)n2)c2c(n1)CNC2=O.[2H]C1([2H])NC(=O)c2c(-n3ccc(N4CCC[C@@](C)(O)C4)n3)cc(-c3c(F)cccc3C#N)nc21.
What is the InChIKey of 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The InChIKey is BDCCNLWJUPDPGJ-CQNHBSGHSA-N. The full InChI is InChI=1S/C25H24FN7O.C23H21FN6O3.C23H21FN6O2.C21H17FN6O3/c1-31-14-25(15-31)6-9-32(10-7-25)21-5-8-33(30-21)20-11-18(29-19-13-28-24(34)23(19)20)22-16(12-27)3-2-4-17(22)26;1-23(33)12-29(7-5-18(23)31)19-6-8-30(28-19)17-9-15(27-16-11-26-22(32)21(16)17)20-13(10-25)3-2-4-14(20)24;1-23(32)7-3-8-29(13-23)19-6-9-30(28-19)18-10-16(27-17-12-26-22(31)21(17)18)20-14(11-25)4-2-5-15(20)24;22-12-3-1-2-11(7-23)19(12)13-6-15(20-14(25-13)8-24-21(20)31)28-5-4-18(26-28)27-9-16(29)17(30)10-27/h2-5,8,11H,6-7,9-10,13-15H2,1H3,(H,28,34);2-4,6,8-9,18,31,33H,5,7,11-12H2,1H3,(H,26,32);2,4-6,9-10,32H,3,7-8,12-13H2,1H3,(H,26,31);1-6,16-17,29-30H,8-10H2,(H,24,31)/t;18-,23?;23-;16-,17+/m.11./s1/i;;12D2;.
What are the key properties of 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile has a molecular weight of 1760.85 g/mol, XLogP of 7.50, 12 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7,7-dideuterio-4-[3-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6H-pyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(4R)-3,4-dihydroxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;2-[4-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 157311523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).