4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C21H19ClFN5O4S — CID 44529727

IUPAC4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)c(NS(C)(=O)=O)c2)CC(=O)N1
InChIInChI=1S/C21H19ClFN5O4S/c1-10-20(21(30)26-18-6-12-9-24-27-16(12)8-15(18)23)13(7-19(29)25-10)11-3-4-14(22)17(5-11)28-33(2,31)32/h3-6,8-9,13,28H,7H2,1-2H3,(H,24,27)(H,25,29)(H,26,30)
InChIKeyKVDFQMGWOVLKEU-UHFFFAOYSA-N
MW491.93 g/mol
LogP3.24
Rot. Bonds5

About 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 44529727) has the molecular formula C21H19ClFN5O4S and a molecular weight of 491.93 g/mol. Its IUPAC name is 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID44529727
Molecular FormulaC21H19ClFN5O4S
Molecular Weight491.93 g/mol
Exact Mass491.08
IUPAC Name4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)c(NS(C)(=O)=O)c2)CC(=O)N1
InChIInChI=1S/C21H19ClFN5O4S/c1-10-20(21(30)26-18-6-12-9-24-27-16(12)8-15(18)23)13(7-19(29)25-10)11-3-4-14(22)17(5-11)28-33(2,31)32/h3-6,8-9,13,28H,7H2,1-2H3,(H,24,27)(H,25,29)(H,26,30)
InChIKeyKVDFQMGWOVLKEU-UHFFFAOYSA-N
XLogP3.24
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.93
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 44529727) is 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)c(NS(C)(=O)=O)c2)CC(=O)N1.
What is the InChIKey of 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is KVDFQMGWOVLKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O4S/c1-10-20(21(30)26-18-6-12-9-24-27-16(12)8-15(18)23)13(7-19(29)25-10)11-3-4-14(22)17(5-11)28-33(2,31)32/h3-6,8-9,13,28H,7H2,1-2H3,(H,24,27)(H,25,29)(H,26,30).
What are the key properties of 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 491.93 g/mol, XLogP of 3.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(methanesulfonamido)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 44529727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).