3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone

C20H20N4O — CID 167851932

IUPAC3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(CCc2ccccc2)n1)N1CCCc2ncccc21
InChIInChI=1S/C20H20N4O/c25-20(24-13-5-8-17-19(24)9-4-12-21-17)18-11-15-23(22-18)14-10-16-6-2-1-3-7-16/h1-4,6-7,9,11-12,15H,5,8,10,13-14H2
InChIKeyZQJNVNPJBMMXHW-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.11
Rot. Bonds4

About 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone

3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone (PubChem CID 167851932) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone
PubChem CID167851932
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(CCc2ccccc2)n1)N1CCCc2ncccc21
InChIInChI=1S/C20H20N4O/c25-20(24-13-5-8-17-19(24)9-4-12-21-17)18-11-15-23(22-18)14-10-16-6-2-1-3-7-16/h1-4,6-7,9,11-12,15H,5,8,10,13-14H2
InChIKeyZQJNVNPJBMMXHW-UHFFFAOYSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone (CID 167851932) is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone is O=C(c1ccn(CCc2ccccc2)n1)N1CCCc2ncccc21.
What is the InChIKey of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone?
The InChIKey is ZQJNVNPJBMMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(24-13-5-8-17-19(24)9-4-12-21-17)18-11-15-23(22-18)14-10-16-6-2-1-3-7-16/h1-4,6-7,9,11-12,15H,5,8,10,13-14H2.
What are the key properties of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone?
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[1-(2-phenylethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 167851932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).