3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid

C23H24ClN3O4 — CID 135335387

IUPAC3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(C4=CCN(CCC(=O)O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H24ClN3O4/c1-30-20-13-21(31-2)18(24)12-17(20)19-14-27-10-5-16(11-22(27)25-19)15-3-7-26(8-4-15)9-6-23(28)29/h3,5,10-14H,4,6-9H2,1-2H3,(H,28,29)
InChIKeyXGAKUWUEVNWCCA-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.24
Rot. Bonds7

About 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid

3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid (PubChem CID 135335387) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid
PubChem CID135335387
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(C4=CCN(CCC(=O)O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H24ClN3O4/c1-30-20-13-21(31-2)18(24)12-17(20)19-14-27-10-5-16(11-22(27)25-19)15-3-7-26(8-4-15)9-6-23(28)29/h3,5,10-14H,4,6-9H2,1-2H3,(H,28,29)
InChIKeyXGAKUWUEVNWCCA-UHFFFAOYSA-N
XLogP4.24
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid (CID 135335387) is 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid is COc1cc(OC)c(-c2cn3ccc(C4=CCN(CCC(=O)O)CC4)cc3n2)cc1Cl.
What is the InChIKey of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid?
The InChIKey is XGAKUWUEVNWCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-30-20-13-21(31-2)18(24)12-17(20)19-14-27-10-5-16(11-22(27)25-19)15-3-7-26(8-4-15)9-6-23(28)29/h3,5,10-14H,4,6-9H2,1-2H3,(H,28,29).
What are the key properties of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid?
3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid has a molecular weight of 441.92 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]propanoic acid is sourced from PubChem (CID 135335387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).