6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide

C22H22FN9O4S — CID 118206113

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(S(C)(=O)=O)c1
InChIInChI=1S/C22H22FN9O4S/c1-22(2,34)18(23)11-27-21(33)16-10-25-19(32-20-14(8-29-32)4-13(6-24)7-26-20)5-17(16)30-15-9-28-31(12-15)37(3,35)36/h4-5,7-10,12,18,34H,11H2,1-3H3,(H,25,30)(H,27,33)/t18-/m1/s1
InChIKeyOEYYOVDYZPNDOJ-GOSISDBHSA-N
MW527.54 g/mol
LogP1.27
Rot. Bonds8

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 118206113) has the molecular formula C22H22FN9O4S and a molecular weight of 527.54 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide
PubChem CID118206113
Molecular FormulaC22H22FN9O4S
Molecular Weight527.54 g/mol
Exact Mass527.15
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(S(C)(=O)=O)c1
InChIInChI=1S/C22H22FN9O4S/c1-22(2,34)18(23)11-27-21(33)16-10-25-19(32-20-14(8-29-32)4-13(6-24)7-26-20)5-17(16)30-15-9-28-31(12-15)37(3,35)36/h4-5,7-10,12,18,34H,11H2,1-3H3,(H,25,30)(H,27,33)/t18-/m1/s1
InChIKeyOEYYOVDYZPNDOJ-GOSISDBHSA-N
XLogP1.27
TPSA180.71 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.54
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide (CID 118206113) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(S(C)(=O)=O)c1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is OEYYOVDYZPNDOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22FN9O4S/c1-22(2,34)18(23)11-27-21(33)16-10-25-19(32-20-14(8-29-32)4-13(6-24)7-26-20)5-17(16)30-15-9-28-31(12-15)37(3,35)36/h4-5,7-10,12,18,34H,11H2,1-3H3,(H,25,30)(H,27,33)/t18-/m1/s1.
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 527.54 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylsulfonylpyrazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).