4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid

C23H27ClN4O4 — CID 135335516

IUPAC4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O4/c1-31-20-14-21(32-2)18(24)13-17(20)19-15-28-7-5-16(12-22(28)25-19)27-10-8-26(9-11-27)6-3-4-23(29)30/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H,29,30)
InChIKeyDBCYMKTWKPZTNB-UHFFFAOYSA-N
MW458.95 g/mol
LogP3.66
Rot. Bonds8

About 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid

4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid (PubChem CID 135335516) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid
PubChem CID135335516
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O4/c1-31-20-14-21(32-2)18(24)13-17(20)19-15-28-7-5-16(12-22(28)25-19)27-10-8-26(9-11-27)6-3-4-23(29)30/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H,29,30)
InChIKeyDBCYMKTWKPZTNB-UHFFFAOYSA-N
XLogP3.66
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid (CID 135335516) is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid is COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid?
The InChIKey is DBCYMKTWKPZTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-31-20-14-21(32-2)18(24)13-17(20)19-15-28-7-5-16(12-22(28)25-19)27-10-8-26(9-11-27)6-3-4-23(29)30/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H,29,30).
What are the key properties of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid?
4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid has a molecular weight of 458.95 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoic acid is sourced from PubChem (CID 135335516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).