2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine

C25H25ClFN5O2 — CID 135281300

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(Cc5ccncc5F)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H25ClFN5O2/c1-33-23-13-24(34-2)20(26)12-19(23)22-16-32-6-4-18(11-25(32)29-22)31-9-7-30(8-10-31)15-17-3-5-28-14-21(17)27/h3-6,11-14,16H,7-10,15H2,1-2H3
InChIKeyZJLZHOBTEZFBIF-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.53
Rot. Bonds6

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 135281300) has the molecular formula C25H25ClFN5O2 and a molecular weight of 481.96 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID135281300
Molecular FormulaC25H25ClFN5O2
Molecular Weight481.96 g/mol
Exact Mass481.17
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(Cc5ccncc5F)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H25ClFN5O2/c1-33-23-13-24(34-2)20(26)12-19(23)22-16-32-6-4-18(11-25(32)29-22)31-9-7-30(8-10-31)15-17-3-5-28-14-21(17)27/h3-6,11-14,16H,7-10,15H2,1-2H3
InChIKeyZJLZHOBTEZFBIF-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine (CID 135281300) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(Cc5ccncc5F)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is ZJLZHOBTEZFBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O2/c1-33-23-13-24(34-2)20(26)12-19(23)22-16-32-6-4-18(11-25(32)29-22)31-9-7-30(8-10-31)15-17-3-5-28-14-21(17)27/h3-6,11-14,16H,7-10,15H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 481.96 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135281300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).