3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one

C21H21Cl2FN4O3 — CID 137284402

IUPAC3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCOc1c(-c2c(O)cccc2F)c(Cl)cn2c(N3CCN(C(=O)CCCl)CC3)cnc12
InChIInChI=1S/C21H21Cl2FN4O3/c1-31-20-18(19-14(24)3-2-4-15(19)29)13(23)12-28-16(11-25-21(20)28)26-7-9-27(10-8-26)17(30)5-6-22/h2-4,11-12,29H,5-10H2,1H3
InChIKeyMPOZXOMMYLYKGL-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.79
Rot. Bonds5

About 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one

3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 137284402) has the molecular formula C21H21Cl2FN4O3 and a molecular weight of 467.33 g/mol. Its IUPAC name is 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID137284402
Molecular FormulaC21H21Cl2FN4O3
Molecular Weight467.33 g/mol
Exact Mass466.10
IUPAC Name3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCOc1c(-c2c(O)cccc2F)c(Cl)cn2c(N3CCN(C(=O)CCCl)CC3)cnc12
InChIInChI=1S/C21H21Cl2FN4O3/c1-31-20-18(19-14(24)3-2-4-15(19)29)13(23)12-28-16(11-25-21(20)28)26-7-9-27(10-8-26)17(30)5-6-22/h2-4,11-12,29H,5-10H2,1H3
InChIKeyMPOZXOMMYLYKGL-UHFFFAOYSA-N
XLogP3.79
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (CID 137284402) is 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is COc1c(-c2c(O)cccc2F)c(Cl)cn2c(N3CCN(C(=O)CCCl)CC3)cnc12.
What is the InChIKey of 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is MPOZXOMMYLYKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN4O3/c1-31-20-18(19-14(24)3-2-4-15(19)29)13(23)12-28-16(11-25-21(20)28)26-7-9-27(10-8-26)17(30)5-6-22/h2-4,11-12,29H,5-10H2,1H3.
What are the key properties of 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 467.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 137284402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).