[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

C19H16N6O3 — CID 135889475

IUPAC[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
SMILESCc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CCN(C(=O)c1ccon1)C2
InChIInChI=1S/C19H16N6O3/c1-11-16(17-22-18(28-24-17)14-3-2-6-20-14)13-4-7-25(10-12(13)9-21-11)19(26)15-5-8-27-23-15/h2-3,5-6,8-9,20H,4,7,10H2,1H3
InChIKeyUJLJMBBENJHDCK-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.62
Rot. Bonds3

About [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

[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 (PubChem CID 135889475) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID135889475
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name[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
SMILESCc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CCN(C(=O)c1ccon1)C2
InChIInChI=1S/C19H16N6O3/c1-11-16(17-22-18(28-24-17)14-3-2-6-20-14)13-4-7-25(10-12(13)9-21-11)19(26)15-5-8-27-23-15/h2-3,5-6,8-9,20H,4,7,10H2,1H3
InChIKeyUJLJMBBENJHDCK-UHFFFAOYSA-N
XLogP2.62
TPSA113.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Related Compounds

3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597832
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
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
[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
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
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
[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-[(2S)-oxan-2-yl]-1,2,4-oxadiazol-3-yl]-N-propyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 31134789
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
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
5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 45229255

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1ncc2c(c1-c1noc(-c3ccc[nH]3)n1)CCN(C(=O)c1ccon1)C2.
What is the InChIKey of [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?
The InChIKey is UJLJMBBENJHDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11-16(17-22-18(28-24-17)14-3-2-6-20-14)13-4-7-25(10-12(13)9-21-11)19(26)15-5-8-27-23-15/h2-3,5-6,8-9,20H,4,7,10H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 376.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 135889475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).