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

C20H23ClN4O3 — CID 140914408

IUPAC[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCNC(CO)C4)cc3n2)cc1Cl
InChIInChI=1S/C20H23ClN4O3/c1-28-19-6-13(11-26)16(8-17(19)21)18-10-25-4-2-15(7-20(25)23-18)24-5-3-22-14(9-24)12-27/h2,4,6-8,10,14,22,26-27H,3,5,9,11-12H2,1H3
InChIKeySMCGKBJEFCIWBM-UHFFFAOYSA-N
MW402.88 g/mol
LogP1.93
Rot. Bonds5

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

[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol (PubChem CID 140914408) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol
PubChem CID140914408
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCNC(CO)C4)cc3n2)cc1Cl
InChIInChI=1S/C20H23ClN4O3/c1-28-19-6-13(11-26)16(8-17(19)21)18-10-25-4-2-15(7-20(25)23-18)24-5-3-22-14(9-24)12-27/h2,4,6-8,10,14,22,26-27H,3,5,9,11-12H2,1H3
InChIKeySMCGKBJEFCIWBM-UHFFFAOYSA-N
XLogP1.93
TPSA82.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol?
The IUPAC name of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol (CID 140914408) is [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol.
What is the SMILES notation for [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol?
The canonical SMILES for [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCNC(CO)C4)cc3n2)cc1Cl.
What is the InChIKey of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol?
The InChIKey is SMCGKBJEFCIWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-28-19-6-13(11-26)16(8-17(19)21)18-10-25-4-2-15(7-20(25)23-18)24-5-3-22-14(9-24)12-27/h2,4,6-8,10,14,22,26-27H,3,5,9,11-12H2,1H3.
What are the key properties of [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol?
[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol has a molecular weight of 402.88 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-2-yl]methanol is sourced from PubChem (CID 140914408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).