1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone

C19H18N4O3S — CID 28739588

IUPAC1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3-c3noc(C)n3)C2)s1
InChIInChI=1S/C19H18N4O3S/c1-10-17(18-21-12(3)26-22-18)14-6-7-23(9-13(14)8-20-10)19(25)16-5-4-15(27-16)11(2)24/h4-5,8H,6-7,9H2,1-3H3
InChIKeyBRPKCOIEDLHKOL-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.21
Rot. Bonds3

About 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone

1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone (PubChem CID 28739588) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone
PubChem CID28739588
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3-c3noc(C)n3)C2)s1
InChIInChI=1S/C19H18N4O3S/c1-10-17(18-21-12(3)26-22-18)14-6-7-23(9-13(14)8-20-10)19(25)16-5-4-15(27-16)11(2)24/h4-5,8H,6-7,9H2,1-3H3
InChIKeyBRPKCOIEDLHKOL-UHFFFAOYSA-N
XLogP3.21
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
CID 29170270
[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 29152092
[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone
CID 29086016
1H-imidazol-5-yl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 28881344
cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 31162028
3,4-dihydro-1H-isoquinolin-2-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 175729357
[6-methyl-5-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,2-oxazol-3-yl)methanone
CID 135889475
6-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]-1H-pyridin-2-one
CID 29084262
1-[6-methyl-5-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]but-3-en-1-one
CID 29022242
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 56853671
1-[5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 137343339
6-methyl-5-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-N-propyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 31005319

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone (CID 28739588) is 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3-c3noc(C)n3)C2)s1.
What is the InChIKey of 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is BRPKCOIEDLHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-10-17(18-21-12(3)26-22-18)14-6-7-23(9-13(14)8-20-10)19(25)16-5-4-15(27-16)11(2)24/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone?
1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 382.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 28739588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).