N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

C24H19F2N5O3S2 — CID 53262226

IUPACN-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(-c5ccn[nH]5)s4)cc23)c1F
InChIInChI=1S/C24H19F2N5O3S2/c1-2-9-36(33,34)31-18-4-3-16(25)21(22(18)26)23(32)15-12-28-24-14(15)10-13(11-27-24)19-5-6-20(35-19)17-7-8-29-30-17/h3-8,10-12,31H,2,9H2,1H3,(H,27,28)(H,29,30)
InChIKeyMLOOHVLRHVOGQG-UHFFFAOYSA-N
MW527.58 g/mol
LogP5.34
Rot. Bonds8

About N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 53262226) has the molecular formula C24H19F2N5O3S2 and a molecular weight of 527.58 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID53262226
Molecular FormulaC24H19F2N5O3S2
Molecular Weight527.58 g/mol
Exact Mass527.09
IUPAC NameN-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(-c5ccn[nH]5)s4)cc23)c1F
InChIInChI=1S/C24H19F2N5O3S2/c1-2-9-36(33,34)31-18-4-3-16(25)21(22(18)26)23(32)15-12-28-24-14(15)10-13(11-27-24)19-5-6-20(35-19)17-7-8-29-30-17/h3-8,10-12,31H,2,9H2,1H3,(H,27,28)(H,29,30)
InChIKeyMLOOHVLRHVOGQG-UHFFFAOYSA-N
XLogP5.34
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]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-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (CID 53262226) is N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(-c5ccn[nH]5)s4)cc23)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is MLOOHVLRHVOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3S2/c1-2-9-36(33,34)31-18-4-3-16(25)21(22(18)26)23(32)15-12-28-24-14(15)10-13(11-27-24)19-5-6-20(35-19)17-7-8-29-30-17/h3-8,10-12,31H,2,9H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 527.58 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 53262226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).