1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one

C18H17ClN4O — CID 138515813

IUPAC1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one
SMILESCc1c(-c2cc(N3CCNCC3=O)ccc2Cl)nc2ccccn12
InChIInChI=1S/C18H17ClN4O/c1-12-18(21-16-4-2-3-8-22(12)16)14-10-13(5-6-15(14)19)23-9-7-20-11-17(23)24/h2-6,8,10,20H,7,9,11H2,1H3
InChIKeyHHYIJZNINBNTMN-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.90
Rot. Bonds2

About 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one

1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one (PubChem CID 138515813) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one
PubChem CID138515813
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one
SMILESCc1c(-c2cc(N3CCNCC3=O)ccc2Cl)nc2ccccn12
InChIInChI=1S/C18H17ClN4O/c1-12-18(21-16-4-2-3-8-22(12)16)14-10-13(5-6-15(14)19)23-9-7-20-11-17(23)24/h2-6,8,10,20H,7,9,11H2,1H3
InChIKeyHHYIJZNINBNTMN-UHFFFAOYSA-N
XLogP2.90
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Saripidem
CID 3058746
Diphenyl purine derivative 2
CID 72713199
Otenabant hydrochloride
CID 16223963
Diphenyl purine derivative 4
CID 72712999
Diphenyl purine derivative 5
CID 72713196
Diphenyl purine derivative 3
CID 72713197
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
N-Desethyl otenabant
CID 10480380
Imidazopyridine 18a
CID 5329351
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
(2-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744107

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one?
The IUPAC name of 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one (CID 138515813) is 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one.
What is the SMILES notation for 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one?
The canonical SMILES for 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one is Cc1c(-c2cc(N3CCNCC3=O)ccc2Cl)nc2ccccn12.
What is the InChIKey of 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one?
The InChIKey is HHYIJZNINBNTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-18(21-16-4-2-3-8-22(12)16)14-10-13(5-6-15(14)19)23-9-7-20-11-17(23)24/h2-6,8,10,20H,7,9,11H2,1H3.
What are the key properties of 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one?
1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one has a molecular weight of 340.81 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-2-one is sourced from PubChem (CID 138515813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).