1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one

C20H18ClN5O — CID 67028507

IUPAC1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one
SMILESCN(C)c1ccn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)c(=O)n1
InChIInChI=1S/C20H18ClN5O/c1-24(2)17-10-12-25(20(27)23-17)13-16-19(14-6-8-15(21)9-7-14)22-18-5-3-4-11-26(16)18/h3-12H,13H2,1-2H3
InChIKeyQKAHGPBIAXMSSE-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.33
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one

1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one (PubChem CID 67028507) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one
PubChem CID67028507
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one
SMILESCN(C)c1ccn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)c(=O)n1
InChIInChI=1S/C20H18ClN5O/c1-24(2)17-10-12-25(20(27)23-17)13-16-19(14-6-8-15(21)9-7-14)22-18-5-3-4-11-26(16)18/h3-12H,13H2,1-2H3
InChIKeyQKAHGPBIAXMSSE-UHFFFAOYSA-N
XLogP3.33
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
CID 67029035
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid
CID 123204073
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
2-(4-chlorophenoxy)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 18279274
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-N,N-di(propan-2-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 168863968
N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
CID 166067979
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
2-(4-chlorophenyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine
CID 67028634
4-(3-benzylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline
CID 56600426

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one?
The IUPAC name of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one (CID 67028507) is 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one?
The canonical SMILES for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one is CN(C)c1ccn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)c(=O)n1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one?
The InChIKey is QKAHGPBIAXMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-24(2)17-10-12-25(20(27)23-17)13-16-19(14-6-8-15(21)9-7-14)22-18-5-3-4-11-26(16)18/h3-12H,13H2,1-2H3.
What are the key properties of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one?
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one has a molecular weight of 379.85 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one is sourced from PubChem (CID 67028507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).