[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone

C25H22ClF2N5O2 — CID 129225888

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone
SMILESO=C(c1cccc(OC(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H22ClF2N5O2/c26-18-9-7-17(8-10-18)23-20(33-11-2-1-5-21(33)30-23)16-31-12-14-32(15-13-31)24(34)19-4-3-6-22(29-19)35-25(27)28/h1-11,25H,12-16H2
InChIKeyRJPNKTDXJLNQEV-UHFFFAOYSA-N
MW497.93 g/mol
LogP4.61
Rot. Bonds6

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone (PubChem CID 129225888) has the molecular formula C25H22ClF2N5O2 and a molecular weight of 497.93 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone
PubChem CID129225888
Molecular FormulaC25H22ClF2N5O2
Molecular Weight497.93 g/mol
Exact Mass497.14
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone
SMILESO=C(c1cccc(OC(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H22ClF2N5O2/c26-18-9-7-17(8-10-18)23-20(33-11-2-1-5-21(33)30-23)16-31-12-14-32(15-13-31)24(34)19-4-3-6-22(29-19)35-25(27)28/h1-11,25H,12-16H2
InChIKeyRJPNKTDXJLNQEV-UHFFFAOYSA-N
XLogP4.61
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone 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 [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone (CID 129225888) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone is O=C(c1cccc(OC(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone?
The InChIKey is RJPNKTDXJLNQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O2/c26-18-9-7-17(8-10-18)23-20(33-11-2-1-5-21(33)30-23)16-31-12-14-32(15-13-31)24(34)19-4-3-6-22(29-19)35-25(27)28/h1-11,25H,12-16H2.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone has a molecular weight of 497.93 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(difluoromethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 129225888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).