7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C21H19FN4O3S — CID 176503901

IUPAC7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCc3c(cn(-c4ccc(F)cc4)c(=O)c3C(N)=O)C2)s1
InChIInChI=1S/C21H19FN4O3S/c1-11-18(30-12(2)24-11)21(29)25-8-7-16-13(9-25)10-26(20(28)17(16)19(23)27)15-5-3-14(22)4-6-15/h3-6,10H,7-9H2,1-2H3,(H2,23,27)
InChIKeyKNYAADKSZRZDST-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.35
Rot. Bonds3

About 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 176503901) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID176503901
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCc3c(cn(-c4ccc(F)cc4)c(=O)c3C(N)=O)C2)s1
InChIInChI=1S/C21H19FN4O3S/c1-11-18(30-12(2)24-11)21(29)25-8-7-16-13(9-25)10-26(20(28)17(16)19(23)27)15-5-3-14(22)4-6-15/h3-6,10H,7-9H2,1-2H3,(H2,23,27)
InChIKeyKNYAADKSZRZDST-UHFFFAOYSA-N
XLogP2.35
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 176503901) is 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is Cc1nc(C)c(C(=O)N2CCc3c(cn(-c4ccc(F)cc4)c(=O)c3C(N)=O)C2)s1.
What is the InChIKey of 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is KNYAADKSZRZDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-11-18(30-12(2)24-11)21(29)25-8-7-16-13(9-25)10-26(20(28)17(16)19(23)27)15-5-3-14(22)4-6-15/h3-6,10H,7-9H2,1-2H3,(H2,23,27).
What are the key properties of 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-3-oxo-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 176503901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).