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

C23H19ClF2N4O3S — CID 58095335

IUPACN-[3-[2-[2-(4-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(-c4ccc(Cl)cc4)[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)14-3-5-15(24)6-4-14/h3-8,10,12,30H,2,9,11H2,1H3,(H,27,28,29)
InChIKeyIKWDLIARDSXQIF-UHFFFAOYSA-N
MW504.95 g/mol
LogP5.13
Rot. Bonds8

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

N-[3-[2-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 58095335) has the molecular formula C23H19ClF2N4O3S and a molecular weight of 504.95 g/mol. Its IUPAC name is N-[3-[2-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID58095335
Molecular FormulaC23H19ClF2N4O3S
Molecular Weight504.95 g/mol
Exact Mass504.08
IUPAC NameN-[3-[2-[2-(4-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(-c4ccc(Cl)cc4)[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)14-3-5-15(24)6-4-14/h3-8,10,12,30H,2,9,11H2,1H3,(H,27,28,29)
InChIKeyIKWDLIARDSXQIF-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 58095335) is N-[3-[2-[2-(4-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-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-[2-(4-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(-c4ccc(Cl)cc4)[nH]c3c2)c1F.
What is the InChIKey of N-[3-[2-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is IKWDLIARDSXQIF-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)14-3-5-15(24)6-4-14/h3-8,10,12,30H,2,9,11H2,1H3,(H,27,28,29).
What are the key properties of N-[3-[2-[2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-[2-[2-(4-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-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 58095335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).