3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C25H22N4O3 — CID 26145775

IUPAC3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cn4ccccc4n2)C3)c1
InChIInChI=1S/C25H22N4O3/c1-16(30)17-6-5-7-18(12-17)20-13-19-14-29(11-9-22(19)27(2)24(20)31)25(32)21-15-28-10-4-3-8-23(28)26-21/h3-8,10,12-13,15H,9,11,14H2,1-2H3
InChIKeyMWRDETDLKDVSBR-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.10
Rot. Bonds3

About 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26145775) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26145775
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cn4ccccc4n2)C3)c1
InChIInChI=1S/C25H22N4O3/c1-16(30)17-6-5-7-18(12-17)20-13-19-14-29(11-9-22(19)27(2)24(20)31)25(32)21-15-28-10-4-3-8-23(28)26-21/h3-8,10,12-13,15H,9,11,14H2,1-2H3
InChIKeyMWRDETDLKDVSBR-UHFFFAOYSA-N
XLogP3.10
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26145775) is 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C(=O)c2cn4ccccc4n2)C3)c1.
What is the InChIKey of 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is MWRDETDLKDVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16(30)17-6-5-7-18(12-17)20-13-19-14-29(11-9-22(19)27(2)24(20)31)25(32)21-15-28-10-4-3-8-23(28)26-21/h3-8,10,12-13,15H,9,11,14H2,1-2H3.
What are the key properties of 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 426.48 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-6-(imidazo[1,2-a]pyridine-2-carbonyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26145775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).