3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

C21H18N4O2S — CID 24678562

IUPAC3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCc4ncccc43)c3c(C)noc3n2)s1
InChIInChI=1S/C21H18N4O2S/c1-12-7-8-18(28-12)16-11-14(19-13(2)24-27-20(19)23-16)21(26)25-10-4-5-15-17(25)6-3-9-22-15/h3,6-9,11H,4-5,10H2,1-2H3
InChIKeyKWGSGIBPZBUISG-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.56
Rot. Bonds2

About 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 24678562) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID24678562
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCc4ncccc43)c3c(C)noc3n2)s1
InChIInChI=1S/C21H18N4O2S/c1-12-7-8-18(28-12)16-11-14(19-13(2)24-27-20(19)23-16)21(26)25-10-4-5-15-17(25)6-3-9-22-15/h3,6-9,11H,4-5,10H2,1-2H3
InChIKeyKWGSGIBPZBUISG-UHFFFAOYSA-N
XLogP4.56
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone (CID 24678562) is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCc4ncccc43)c3c(C)noc3n2)s1.
What is the InChIKey of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is KWGSGIBPZBUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-12-7-8-18(28-12)16-11-14(19-13(2)24-27-20(19)23-16)21(26)25-10-4-5-15-17(25)6-3-9-22-15/h3,6-9,11H,4-5,10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone?
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 390.47 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 24678562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).