3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C29H30N4O2 — CID 26141839

IUPAC3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(Cc2cn[nH]c2-c2cc(C)ccc2C)C3)c1
InChIInChI=1S/C29H30N4O2/c1-18-8-9-19(2)25(12-18)28-24(15-30-31-28)17-33-11-10-27-23(16-33)14-26(29(35)32(27)4)22-7-5-6-21(13-22)20(3)34/h5-9,12-15H,10-11,16-17H2,1-4H3,(H,30,31)
InChIKeyOWFGPQXRSWZQTC-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.82
Rot. Bonds5

About 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26141839) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26141839
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(Cc2cn[nH]c2-c2cc(C)ccc2C)C3)c1
InChIInChI=1S/C29H30N4O2/c1-18-8-9-19(2)25(12-18)28-24(15-30-31-28)17-33-11-10-27-23(16-33)14-26(29(35)32(27)4)22-7-5-6-21(13-22)20(3)34/h5-9,12-15H,10-11,16-17H2,1-4H3,(H,30,31)
InChIKeyOWFGPQXRSWZQTC-UHFFFAOYSA-N
XLogP4.82
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26141839) is 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(Cc2cn[nH]c2-c2cc(C)ccc2C)C3)c1.
What is the InChIKey of 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is OWFGPQXRSWZQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-18-8-9-19(2)25(12-18)28-24(15-30-31-28)17-33-11-10-27-23(16-33)14-26(29(35)32(27)4)22-7-5-6-21(13-22)20(3)34/h5-9,12-15H,10-11,16-17H2,1-4H3,(H,30,31).
What are the key properties of 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 466.59 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-6-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26141839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).