2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide

C23H17F2N7O2S — CID 118249309

IUPAC2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide
SMILESCc1nccc(Nc2cc(-c3cc(NS(=O)(=O)c4ccc(F)cc4F)c4ccnn4c3)ccn2)n1
InChIInChI=1S/C23H17F2N7O2S/c1-14-26-8-6-22(29-14)30-23-11-15(4-7-27-23)16-10-19(20-5-9-28-32(20)13-16)31-35(33,34)21-3-2-17(24)12-18(21)25/h2-13,31H,1H3,(H,26,27,29,30)
InChIKeyMOLGUBGNGUHFIU-UHFFFAOYSA-N
MW493.50 g/mol
LogP4.32
Rot. Bonds6

About 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide

2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide (PubChem CID 118249309) has the molecular formula C23H17F2N7O2S and a molecular weight of 493.50 g/mol. Its IUPAC name is 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide
PubChem CID118249309
Molecular FormulaC23H17F2N7O2S
Molecular Weight493.50 g/mol
Exact Mass493.11
IUPAC Name2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide
SMILESCc1nccc(Nc2cc(-c3cc(NS(=O)(=O)c4ccc(F)cc4F)c4ccnn4c3)ccn2)n1
InChIInChI=1S/C23H17F2N7O2S/c1-14-26-8-6-22(29-14)30-23-11-15(4-7-27-23)16-10-19(20-5-9-28-32(20)13-16)31-35(33,34)21-3-2-17(24)12-18(21)25/h2-13,31H,1H3,(H,26,27,29,30)
InChIKeyMOLGUBGNGUHFIU-UHFFFAOYSA-N
XLogP4.32
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide 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 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide (CID 118249309) is 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide is Cc1nccc(Nc2cc(-c3cc(NS(=O)(=O)c4ccc(F)cc4F)c4ccnn4c3)ccn2)n1.
What is the InChIKey of 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide?
The InChIKey is MOLGUBGNGUHFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7O2S/c1-14-26-8-6-22(29-14)30-23-11-15(4-7-27-23)16-10-19(20-5-9-28-32(20)13-16)31-35(33,34)21-3-2-17(24)12-18(21)25/h2-13,31H,1H3,(H,26,27,29,30).
What are the key properties of 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide?
2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide has a molecular weight of 493.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[6-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 118249309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).