3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

C73H66F3N19O10 — CID 157055136

IUPAC3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
SMILESCO[C@@H]1CCN(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)C[C@H]1O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC(O)(C(=O)N4CCCC4)C3)n2)c2c(n1)CNC2=O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC4(C3)OCC(O)CO4)n2)c2c(n1)CNC2=O
InChIInChI=1S/C26H24FN7O3.C24H21FN6O4.C23H21FN6O3/c27-17-5-3-4-16(13-28)22(17)18-12-20(23-19(30-18)14-29-24(23)35)34-10-6-21(31-34)33-11-7-26(37,15-33)25(36)32-8-1-2-9-32;25-16-3-1-2-14(9-26)21(16)17-8-19(22-18(28-17)10-27-23(22)33)31-6-4-20(29-31)30-7-5-24(13-30)34-11-15(32)12-35-24;1-33-19-5-7-29(12-18(19)31)20-6-8-30(28-20)17-9-15(27-16-11-26-23(32)22(16)17)21-13(10-25)3-2-4-14(21)24/h3-6,10,12,37H,1-2,7-9,11,14-15H2,(H,29,35);1-4,6,8,15,32H,5,7,10-13H2,(H,27,33);2-4,6,8-9,18-19,31H,5,7,11-12H2,1H3,(H,26,32)/t;;18-,19-/m..1/s1
InChIKeyAAQWYGGLCFCFTL-WTAYRJNXSA-N
MW1426.45 g/mol
LogP5.03
Rot. Bonds11

About 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile (PubChem CID 157055136) has the molecular formula C73H66F3N19O10 and a molecular weight of 1426.45 g/mol. Its IUPAC name is 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
PubChem CID157055136
Molecular FormulaC73H66F3N19O10
Molecular Weight1426.45 g/mol
Exact Mass1425.52
IUPAC Name3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
SMILESCO[C@@H]1CCN(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)C[C@H]1O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC(O)(C(=O)N4CCCC4)C3)n2)c2c(n1)CNC2=O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC4(C3)OCC(O)CO4)n2)c2c(n1)CNC2=O
InChIInChI=1S/C26H24FN7O3.C24H21FN6O4.C23H21FN6O3/c27-17-5-3-4-16(13-28)22(17)18-12-20(23-19(30-18)14-29-24(23)35)34-10-6-21(31-34)33-11-7-26(37,15-33)25(36)32-8-1-2-9-32;25-16-3-1-2-14(9-26)21(16)17-8-19(22-18(28-17)10-27-23(22)33)31-6-4-20(29-31)30-7-5-24(13-30)34-11-15(32)12-35-24;1-33-19-5-7-29(12-18(19)31)20-6-8-30(28-20)17-9-15(27-16-11-26-23(32)22(16)17)21-13(10-25)3-2-4-14(21)24/h3-6,10,12,37H,1-2,7-9,11,14-15H2,(H,29,35);1-4,6,8,15,32H,5,7,10-13H2,(H,27,33);2-4,6,8-9,18-19,31H,5,7,11-12H2,1H3,(H,26,32)/t;;18-,19-/m..1/s1
InChIKeyAAQWYGGLCFCFTL-WTAYRJNXSA-N
XLogP5.03
TPSA369.21 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001426.45
LogP ≤ 55.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-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

3-fluoro-2-[4-[3-[(3S,4R)-3-hydroxy-4-methoxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642495
3-fluoro-2-[4-[3-[(3R,4S)-3-hydroxy-4-methoxy-3-methylpiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642505
3-Fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642279
3-fluoro-2-[4-[3-[(3S,4S)-4-hydroxy-3-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642407
3-fluoro-2-[4-[3-[(3R,4R)-4-hydroxy-3-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642437
3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642438
3-fluoro-2-[4-[3-[(3S,4S)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642501
3-fluoro-2-[4-[3-[(3S,4R)-4-hydroxy-3-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126655258
tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 126655577
3-Fluoro-2-[4-[3-(3-hydroxy-4-methoxypiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126677672
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-[(1S)-1-[(2S)-2,3-dihydroxypropoxy]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 135224048

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The IUPAC name of 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile (CID 157055136) is 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The canonical SMILES for 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile is CO[C@@H]1CCN(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)C[C@H]1O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC(O)(C(=O)N4CCCC4)C3)n2)c2c(n1)CNC2=O.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC4(C3)OCC(O)CO4)n2)c2c(n1)CNC2=O.
What is the InChIKey of 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The InChIKey is AAQWYGGLCFCFTL-WTAYRJNXSA-N. The full InChI is InChI=1S/C26H24FN7O3.C24H21FN6O4.C23H21FN6O3/c27-17-5-3-4-16(13-28)22(17)18-12-20(23-19(30-18)14-29-24(23)35)34-10-6-21(31-34)33-11-7-26(37,15-33)25(36)32-8-1-2-9-32;25-16-3-1-2-14(9-26)21(16)17-8-19(22-18(28-17)10-27-23(22)33)31-6-4-20(29-31)30-7-5-24(13-30)34-11-15(32)12-35-24;1-33-19-5-7-29(12-18(19)31)20-6-8-30(28-20)17-9-15(27-16-11-26-23(32)22(16)17)21-13(10-25)3-2-4-14(21)24/h3-6,10,12,37H,1-2,7-9,11,14-15H2,(H,29,35);1-4,6,8,15,32H,5,7,10-13H2,(H,27,33);2-4,6,8-9,18-19,31H,5,7,11-12H2,1H3,(H,26,32)/t;;18-,19-/m..1/s1.
What are the key properties of 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile has a molecular weight of 1426.45 g/mol, XLogP of 5.03, 11 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[4-[3-(8-hydroxy-6,10-dioxa-2-azaspiro[4.5]decan-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[(3R,4R)-3-hydroxy-4-methoxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[4-[3-[3-hydroxy-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 157055136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).