[4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

C24H24ClN5O2 — CID 140914380

IUPAC[4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccccn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-32-22-12-17(16-31)19(14-20(22)25)21-15-30-7-5-18(13-24(30)27-21)28-8-10-29(11-9-28)23-4-2-3-6-26-23/h2-7,12-15,31H,8-11,16H2,1H3
InChIKeyPSUWNGNQVWUSDB-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.88
Rot. Bonds5

About [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

[4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 140914380) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID140914380
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name[4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccccn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-32-22-12-17(16-31)19(14-20(22)25)21-15-30-7-5-18(13-24(30)27-21)28-8-10-29(11-9-28)23-4-2-3-6-26-23/h2-7,12-15,31H,8-11,16H2,1H3
InChIKeyPSUWNGNQVWUSDB-UHFFFAOYSA-N
XLogP3.88
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Methyl-5-[2-methyl-4-[(4-piperidin-1-yl-2-pyridinyl)oxy]phenyl]imidazo[1,2-a]pyrazine
CID 146025719
6-(4-Chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine
CID 155521184
1-[(3-Chloro-4-methoxyphenyl)methyl]-3-[6-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2,8-dimethylimidazo[1,2-a]pyridin-3-yl]urea
CID 164616908
1-[(3-Chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea
CID 164626680
4-[8-Chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400
1-(3-Chloro-4-phenoxyphenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 57960910
2-Methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137001347
1-[4-(2-Chlorophenoxy)-3-methoxyphenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 57960847
2-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281208
4-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
CID 135281212
6-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 135281259
1-[5-[4-[2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine
CID 135281269

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 140914380) is [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(c5ccccn5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is PSUWNGNQVWUSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-32-22-12-17(16-31)19(14-20(22)25)21-15-30-7-5-18(13-24(30)27-21)28-8-10-29(11-9-28)23-4-2-3-6-26-23/h2-7,12-15,31H,8-11,16H2,1H3.
What are the key properties of [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
[4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol has a molecular weight of 449.94 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-[7-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 140914380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).