N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

C21H17FN4O3S — CID 46948332

IUPACN-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)c1
InChIInChI=1S/C21H17FN4O3S/c1-30(28,29)25-18-4-2-3-15(9-18)16-10-19(24-13-27)21-23-11-20(26(21)12-16)14-5-7-17(22)8-6-14/h2-13,25H,1H3,(H,24,27)
InChIKeyAASFORNMXKPXDV-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.75
Rot. Bonds6

About N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46948332) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46948332
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)c1
InChIInChI=1S/C21H17FN4O3S/c1-30(28,29)25-18-4-2-3-15(9-18)16-10-19(24-13-27)21-23-11-20(26(21)12-16)14-5-7-17(22)8-6-14/h2-13,25H,1H3,(H,24,27)
InChIKeyAASFORNMXKPXDV-UHFFFAOYSA-N
XLogP3.75
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (CID 46948332) is N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is CS(=O)(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is AASFORNMXKPXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-30(28,29)25-18-4-2-3-15(9-18)16-10-19(24-13-27)21-23-11-20(26(21)12-16)14-5-7-17(22)8-6-14/h2-13,25H,1H3,(H,24,27).
What are the key properties of N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 424.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46948332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).