ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate

C24H29ClN4O4 — CID 140914622

IUPACethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1
InChIInChI=1S/C24H29ClN4O4/c1-3-33-24(31)5-6-27-8-10-28(11-9-27)18-4-7-29-15-21(26-23(29)13-18)19-14-20(25)22(32-2)12-17(19)16-30/h4,7,12-15,30H,3,5-6,8-11,16H2,1-2H3
InChIKeyOQRSDLMVEUAKAM-UHFFFAOYSA-N
MW472.97 g/mol
LogP3.23
Rot. Bonds8

About ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate

ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate (PubChem CID 140914622) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
PubChem CID140914622
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Nameethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1
InChIInChI=1S/C24H29ClN4O4/c1-3-33-24(31)5-6-27-8-10-28(11-9-27)18-4-7-29-15-21(26-23(29)13-18)19-14-20(25)22(32-2)12-17(19)16-30/h4,7,12-15,30H,3,5-6,8-11,16H2,1-2H3
InChIKeyOQRSDLMVEUAKAM-UHFFFAOYSA-N
XLogP3.23
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-chloro-5-methoxy-2-[7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 140914483
ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 140914876
[4-chloro-2-[7-[4-(cyclopentylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914663
[4-chloro-2-[7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914446
[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl] formate
CID 140914849
ethyl 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-4-carboxylate
CID 135281370
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841
[4-chloro-2-[7-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914512
1-[4-[2-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 140914692
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135335453
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286
N-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
CID 154702314

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate (CID 140914622) is ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate is CCOC(=O)CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1.
What is the InChIKey of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
The InChIKey is OQRSDLMVEUAKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-3-33-24(31)5-6-27-8-10-28(11-9-27)18-4-7-29-15-21(26-23(29)13-18)19-14-20(25)22(32-2)12-17(19)16-30/h4,7,12-15,30H,3,5-6,8-11,16H2,1-2H3.
What are the key properties of ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate has a molecular weight of 472.97 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate is sourced from PubChem (CID 140914622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).