4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H24FN7S — CID 175631745

IUPAC4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCNc1cccc(F)c1Sc1cc(-c2cnn(C3CCNCC3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C24H24FN7S/c1-15-19(13-30-32(15)18-6-8-28-9-7-18)16-10-22(23-17(11-26)12-29-31(23)14-16)33-24-20(25)4-3-5-21(24)27-2/h3-5,10,12-14,18,27-28H,6-9H2,1-2H3
InChIKeyJCZQEKFLVNJHEL-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.63
Rot. Bonds5

About 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 175631745) has the molecular formula C24H24FN7S and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID175631745
Molecular FormulaC24H24FN7S
Molecular Weight461.57 g/mol
Exact Mass461.18
IUPAC Name4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCNc1cccc(F)c1Sc1cc(-c2cnn(C3CCNCC3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C24H24FN7S/c1-15-19(13-30-32(15)18-6-8-28-9-7-18)16-10-22(23-17(11-26)12-29-31(23)14-16)33-24-20(25)4-3-5-21(24)27-2/h3-5,10,12-14,18,27-28H,6-9H2,1-2H3
InChIKeyJCZQEKFLVNJHEL-UHFFFAOYSA-N
XLogP4.63
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile 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 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 175631745) is 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CNc1cccc(F)c1Sc1cc(-c2cnn(C3CCNCC3)c2C)cn2ncc(C#N)c12.
What is the InChIKey of 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JCZQEKFLVNJHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7S/c1-15-19(13-30-32(15)18-6-8-28-9-7-18)16-10-22(23-17(11-26)12-29-31(23)14-16)33-24-20(25)4-3-5-21(24)27-2/h3-5,10,12-14,18,27-28H,6-9H2,1-2H3.
What are the key properties of 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 461.57 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 175631745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).