[4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

C24H24ClN5O2 — CID 140914519

IUPAC[4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5cccnc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-32-23-11-17(16-31)20(13-21(23)25)22-15-30-6-4-18(12-24(30)27-22)28-7-9-29(10-8-28)19-3-2-5-26-14-19/h2-6,11-15,31H,7-10,16H2,1H3
InChIKeyGIWFAPPALMRMIS-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.88
Rot. Bonds5

About [4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

[4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 140914519) 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-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID140914519
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name[4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5cccnc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-32-23-11-17(16-31)20(13-21(23)25)22-15-30-6-4-18(12-24(30)27-22)28-7-9-29(10-8-28)19-3-2-5-26-14-19/h2-6,11-15,31H,7-10,16H2,1H3
InChIKeyGIWFAPPALMRMIS-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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Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 140914519) is [4-chloro-5-methoxy-2-[7-(4-pyridin-3-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-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(c5cccnc5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is GIWFAPPALMRMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-32-23-11-17(16-31)20(13-21(23)25)22-15-30-6-4-18(12-24(30)27-22)28-7-9-29(10-8-28)19-3-2-5-26-14-19/h2-6,11-15,31H,7-10,16H2,1H3.
What are the key properties of [4-chloro-5-methoxy-2-[7-(4-pyridin-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
[4-chloro-5-methoxy-2-[7-(4-pyridin-3-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-3-ylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 140914519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).