1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone

C23H27ClN4O4 — CID 135335022

IUPAC1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)C(C)C1
InChIInChI=1S/C23H27ClN4O4/c1-15-12-27(23(29)14-30-2)7-8-28(15)16-5-6-26-13-19(25-22(26)9-16)17-10-18(24)21(32-4)11-20(17)31-3/h5-6,9-11,13,15H,7-8,12,14H2,1-4H3
InChIKeyPMMIOXVZKGJIMH-UHFFFAOYSA-N
MW458.95 g/mol
LogP3.36
Rot. Bonds6

About 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone

1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone (PubChem CID 135335022) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone
PubChem CID135335022
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC Name1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)C(C)C1
InChIInChI=1S/C23H27ClN4O4/c1-15-12-27(23(29)14-30-2)7-8-28(15)16-5-6-26-13-19(25-22(26)9-16)17-10-18(24)21(32-4)11-20(17)31-3/h5-6,9-11,13,15H,7-8,12,14H2,1-4H3
InChIKeyPMMIOXVZKGJIMH-UHFFFAOYSA-N
XLogP3.36
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone (CID 135335022) is 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)C(C)C1.
What is the InChIKey of 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone?
The InChIKey is PMMIOXVZKGJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-15-12-27(23(29)14-30-2)7-8-28(15)16-5-6-26-13-19(25-22(26)9-16)17-10-18(24)21(32-4)11-20(17)31-3/h5-6,9-11,13,15H,7-8,12,14H2,1-4H3.
What are the key properties of 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone?
1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone has a molecular weight of 458.95 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpiperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 135335022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).