1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one

C21H18N4O2 — CID 129053981

IUPAC1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1C(=O)c1ccncc1
InChIInChI=1S/C21H18N4O2/c1-13-10-17(11-24(3)21(13)27)16-4-5-18-23-14(2)19(25(18)12-16)20(26)15-6-8-22-9-7-15/h4-12H,1-3H3
InChIKeyQVPPHHBCHNOHKJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.94
Rot. Bonds3

About 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one

1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one (PubChem CID 129053981) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
PubChem CID129053981
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1C(=O)c1ccncc1
InChIInChI=1S/C21H18N4O2/c1-13-10-17(11-24(3)21(13)27)16-4-5-18-23-14(2)19(25(18)12-16)20(26)15-6-8-22-9-7-15/h4-12H,1-3H3
InChIKeyQVPPHHBCHNOHKJ-UHFFFAOYSA-N
XLogP2.94
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070485
6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane
CID 145297524
1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070909
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 130277212
5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 129053950
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one
CID 23339828
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134258609
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide
CID 145297532

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one (CID 129053981) is 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one is Cc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1C(=O)c1ccncc1.
What is the InChIKey of 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The InChIKey is QVPPHHBCHNOHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-10-17(11-24(3)21(13)27)16-4-5-18-23-14(2)19(25(18)12-16)20(26)15-6-8-22-9-7-15/h4-12H,1-3H3.
What are the key properties of 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one has a molecular weight of 358.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one is sourced from PubChem (CID 129053981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).