[4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

C24H29ClN4O2 — CID 140914369

IUPAC[4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H29ClN4O2/c1-31-23-12-17(16-30)20(14-21(23)25)22-15-29-7-6-19(13-24(29)26-22)28-10-8-27(9-11-28)18-4-2-3-5-18/h6-7,12-15,18,30H,2-5,8-11,16H2,1H3
InChIKeyWYCCHNACFPNHAY-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.22
Rot. Bonds5

About [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

[4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (PubChem CID 140914369) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
PubChem CID140914369
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name[4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H29ClN4O2/c1-31-23-12-17(16-30)20(14-21(23)25)22-15-29-7-6-19(13-24(29)26-22)28-10-8-27(9-11-28)18-4-2-3-5-18/h6-7,12-15,18,30H,2-5,8-11,16H2,1H3
InChIKeyWYCCHNACFPNHAY-UHFFFAOYSA-N
XLogP4.22
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (CID 140914369) is [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(C5CCCC5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The InChIKey is WYCCHNACFPNHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-31-23-12-17(16-30)20(14-21(23)25)22-15-29-7-6-19(13-24(29)26-22)28-10-8-27(9-11-28)18-4-2-3-5-18/h6-7,12-15,18,30H,2-5,8-11,16H2,1H3.
What are the key properties of [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
[4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol has a molecular weight of 440.98 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[7-(4-cyclopentylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).