N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C23H21FN4O4S — CID 24677286

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)Nc4ccc(F)c(NS(C)(=O)=O)c4)c3)cn2c1
InChIInChI=1S/C23H21FN4O4S/c1-15-6-9-22-25-18(13-28(22)12-15)14-32-19-5-3-4-16(10-19)23(29)26-17-7-8-20(24)21(11-17)27-33(2,30)31/h3-13,27H,14H2,1-2H3,(H,26,29)
InChIKeySJBAJGPJNXSZQF-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.98
Rot. Bonds7

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 24677286) has the molecular formula C23H21FN4O4S and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID24677286
Molecular FormulaC23H21FN4O4S
Molecular Weight468.51 g/mol
Exact Mass468.13
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3cccc(C(=O)Nc4ccc(F)c(NS(C)(=O)=O)c4)c3)cn2c1
InChIInChI=1S/C23H21FN4O4S/c1-15-6-9-22-25-18(13-28(22)12-15)14-32-19-5-3-4-16(10-19)23(29)26-17-7-8-20(24)21(11-17)27-33(2,30)31/h3-13,27H,14H2,1-2H3,(H,26,29)
InChIKeySJBAJGPJNXSZQF-UHFFFAOYSA-N
XLogP3.98
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 24677286) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(F)c(NS(C)(=O)=O)c4)c3)cn2c1.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is SJBAJGPJNXSZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S/c1-15-6-9-22-25-18(13-28(22)12-15)14-32-19-5-3-4-16(10-19)23(29)26-17-7-8-20(24)21(11-17)27-33(2,30)31/h3-13,27H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 468.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 24677286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).