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

C24H22F2N4O4S — CID 58095334

IUPACN-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(OC)cc4)[nH]c3c2)c1F
InChIInChI=1S/C24H22F2N4O4S/c1-3-10-35(32,33)30-18-9-8-17(25)21(22(18)26)20(31)12-14-11-19-24(27-13-14)29-23(28-19)15-4-6-16(34-2)7-5-15/h4-9,11,13,30H,3,10,12H2,1-2H3,(H,27,28,29)
InChIKeyPNRSQUSRWLGWSE-UHFFFAOYSA-N
MW500.53 g/mol
LogP4.49
Rot. Bonds9

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

N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide (PubChem CID 58095334) has the molecular formula C24H22F2N4O4S and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide
PubChem CID58095334
Molecular FormulaC24H22F2N4O4S
Molecular Weight500.53 g/mol
Exact Mass500.13
IUPAC NameN-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(OC)cc4)[nH]c3c2)c1F
InChIInChI=1S/C24H22F2N4O4S/c1-3-10-35(32,33)30-18-9-8-17(25)21(22(18)26)20(31)12-14-11-19-24(27-13-14)29-23(28-19)15-4-6-16(34-2)7-5-15/h4-9,11,13,30H,3,10,12H2,1-2H3,(H,27,28,29)
InChIKeyPNRSQUSRWLGWSE-UHFFFAOYSA-N
XLogP4.49
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58095362
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-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227721
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-[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-bromo-5-[2-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 58097460
N-[3-[2-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58252023
N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58251991
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-(4-fluoro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 66646598

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide (CID 58095334) is N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(OC)cc4)[nH]c3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
The InChIKey is PNRSQUSRWLGWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4S/c1-3-10-35(32,33)30-18-9-8-17(25)21(22(18)26)20(31)12-14-11-19-24(27-13-14)29-23(28-19)15-4-6-16(34-2)7-5-15/h4-9,11,13,30H,3,10,12H2,1-2H3,(H,27,28,29).
What are the key properties of N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 500.53 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[2-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).