N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

C22H17ClF2N4O3S — CID 139369613

IUPACN-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(Cl)cc4)cc23)c1F
InChIInChI=1S/C22H17ClF2N4O3S/c1-2-9-33(31,32)29-17-8-7-16(24)18(19(17)25)21(30)20-15-10-13(11-26-22(15)28-27-20)12-3-5-14(23)6-4-12/h3-8,10-11,29H,2,9H2,1H3,(H,26,27,28)
InChIKeyBDNQEZGZWYFOSD-UHFFFAOYSA-N
MW490.92 g/mol
LogP4.94
Rot. Bonds7

About N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 139369613) has the molecular formula C22H17ClF2N4O3S and a molecular weight of 490.92 g/mol. Its IUPAC name is N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID139369613
Molecular FormulaC22H17ClF2N4O3S
Molecular Weight490.92 g/mol
Exact Mass490.07
IUPAC NameN-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(Cl)cc4)cc23)c1F
InChIInChI=1S/C22H17ClF2N4O3S/c1-2-9-33(31,32)29-17-8-7-16(24)18(19(17)25)21(30)20-15-10-13(11-26-22(15)28-27-20)12-3-5-14(23)6-4-12/h3-8,10-11,29H,2,9H2,1H3,(H,26,27,28)
InChIKeyBDNQEZGZWYFOSD-UHFFFAOYSA-N
XLogP4.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide 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 N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 139369613) is N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2[nH]nc3ncc(-c4ccc(Cl)cc4)cc23)c1F.
What is the InChIKey of N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is BDNQEZGZWYFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O3S/c1-2-9-33(31,32)29-17-8-7-16(24)18(19(17)25)21(30)20-15-10-13(11-26-22(15)28-27-20)12-3-5-14(23)6-4-12/h3-8,10-11,29H,2,9H2,1H3,(H,26,27,28).
What are the key properties of N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 490.92 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 139369613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).