3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C27H24N4O3 — CID 26137187

IUPAC3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cccc(-n4cccn4)c2)C3)c1
InChIInChI=1S/C27H24N4O3/c1-18(32)19-6-3-7-20(14-19)24-16-22-17-30(13-10-25(22)29(2)27(24)34)26(33)21-8-4-9-23(15-21)31-12-5-11-28-31/h3-9,11-12,14-16H,10,13,17H2,1-2H3
InChIKeyKQLQEYPGBRSNRV-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.64
Rot. Bonds4

About 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26137187) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26137187
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cccc(-n4cccn4)c2)C3)c1
InChIInChI=1S/C27H24N4O3/c1-18(32)19-6-3-7-20(14-19)24-16-22-17-30(13-10-25(22)29(2)27(24)34)26(33)21-8-4-9-23(15-21)31-12-5-11-28-31/h3-9,11-12,14-16H,10,13,17H2,1-2H3
InChIKeyKQLQEYPGBRSNRV-UHFFFAOYSA-N
XLogP3.64
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26137187) is 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cccc(-n4cccn4)c2)C3)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is KQLQEYPGBRSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-18(32)19-6-3-7-20(14-19)24-16-22-17-30(13-10-25(22)29(2)27(24)34)26(33)21-8-4-9-23(15-21)31-12-5-11-28-31/h3-9,11-12,14-16H,10,13,17H2,1-2H3.
What are the key properties of 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 452.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26137187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).