N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

C23H19ClF2N4O3S — CID 58095362

IUPACN-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccccc4Cl)[nH]c3c2)c1F
InChIInChI=1S/C23H19ClF2N4O3S/c1-2-9-34(32,33)30-17-8-7-16(25)20(21(17)26)19(31)11-13-10-18-23(27-12-13)29-22(28-18)14-5-3-4-6-15(14)24/h3-8,10,12,30H,2,9,11H2,1H3,(H,27,28,29)
InChIKeySYHGQOUQRJIJNK-UHFFFAOYSA-N
MW504.95 g/mol
LogP5.13
Rot. Bonds8

About N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 58095362) has the molecular formula C23H19ClF2N4O3S and a molecular weight of 504.95 g/mol. Its IUPAC name is N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID58095362
Molecular FormulaC23H19ClF2N4O3S
Molecular Weight504.95 g/mol
Exact Mass504.08
IUPAC NameN-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccccc4Cl)[nH]c3c2)c1F
InChIInChI=1S/C23H19ClF2N4O3S/c1-2-9-34(32,33)30-17-8-7-16(25)20(21(17)26)19(31)11-13-10-18-23(27-12-13)29-22(28-18)14-5-3-4-6-15(14)24/h3-8,10,12,30H,2,9,11H2,1H3,(H,27,28,29)
InChIKeySYHGQOUQRJIJNK-UHFFFAOYSA-N
XLogP5.13
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.95
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide
CID 58095334
N-[2,4-difluoro-3-[2-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-6-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58095331
N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58252021
N-[3-[2-(3-bromo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58227744
N-[3-[2-[3-(2,2-difluorocyclopropyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58227767
N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58251991
N-[3-bromo-5-[2-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 58097460
N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227721
N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58252019
N-[3-[2-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58252023
N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide
CID 58251988
N-[2,4-difluoro-3-(5-naphthalen-1-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 135248830

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 58095362) is N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccccc4Cl)[nH]c3c2)c1F.
What is the InChIKey of N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is SYHGQOUQRJIJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O3S/c1-2-9-34(32,33)30-17-8-7-16(25)20(21(17)26)19(31)11-13-10-18-23(27-12-13)29-22(28-18)14-5-3-4-6-15(14)24/h3-8,10,12,30H,2,9,11H2,1H3,(H,27,28,29).
What are the key properties of N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 504.95 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 58095362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).