methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate

C21H23ClN4O4 — CID 135335476

IUPACmethyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C21H23ClN4O4/c1-28-18-12-19(29-2)16(22)11-15(18)17-13-26-5-4-14(10-20(26)23-17)24-6-8-25(9-7-24)21(27)30-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyFKDNAYJDYZOGBN-UHFFFAOYSA-N
MW430.89 g/mol
LogP3.56
Rot. Bonds4

About methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate

methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate (PubChem CID 135335476) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
PubChem CID135335476
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Namemethyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C21H23ClN4O4/c1-28-18-12-19(29-2)16(22)11-15(18)17-13-26-5-4-14(10-20(26)23-17)24-6-8-25(9-7-24)21(27)30-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyFKDNAYJDYZOGBN-UHFFFAOYSA-N
XLogP3.56
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate (CID 135335476) is methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate is COC(=O)N1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1.
What is the InChIKey of methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
The InChIKey is FKDNAYJDYZOGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-28-18-12-19(29-2)16(22)11-15(18)17-13-26-5-4-14(10-20(26)23-17)24-6-8-25(9-7-24)21(27)30-3/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate?
methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate has a molecular weight of 430.89 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 135335476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).