1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one

C21H21N3O — CID 70334860

IUPAC1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one
SMILESCc1ccc(-c2nc3ccc(C)cn3c2C2=CCCN(C)C2=O)cc1
InChIInChI=1S/C21H21N3O/c1-14-6-9-16(10-7-14)19-20(17-5-4-12-23(3)21(17)25)24-13-15(2)8-11-18(24)22-19/h5-11,13H,4,12H2,1-3H3
InChIKeyHTSBBABCHMVSBC-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.86
Rot. Bonds2

About 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one

1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one (PubChem CID 70334860) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one
PubChem CID70334860
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one
SMILESCc1ccc(-c2nc3ccc(C)cn3c2C2=CCCN(C)C2=O)cc1
InChIInChI=1S/C21H21N3O/c1-14-6-9-16(10-7-14)19-20(17-5-4-12-23(3)21(17)25)24-13-15(2)8-11-18(24)22-19/h5-11,13H,4,12H2,1-3H3
InChIKeyHTSBBABCHMVSBC-UHFFFAOYSA-N
XLogP3.86
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one (CID 70334860) is 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one is Cc1ccc(-c2nc3ccc(C)cn3c2C2=CCCN(C)C2=O)cc1.
What is the InChIKey of 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one?
The InChIKey is HTSBBABCHMVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-6-9-16(10-7-14)19-20(17-5-4-12-23(3)21(17)25)24-13-15(2)8-11-18(24)22-19/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one?
1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one has a molecular weight of 331.42 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 70334860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).