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

C25H26ClN5O2 — CID 135334991

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(C)ccn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-17-4-6-27-24(12-17)30-10-8-29(9-11-30)18-5-7-31-16-21(28-25(31)13-18)19-14-20(26)23(33-3)15-22(19)32-2/h4-7,12-16H,8-11H2,1-3H3
InChIKeyISUNRZJONUHDPY-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.70
Rot. Bonds5

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 135334991) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID135334991
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(C)ccn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-17-4-6-27-24(12-17)30-10-8-29(9-11-30)18-5-7-31-16-21(28-25(31)13-18)19-14-20(26)23(33-3)15-22(19)32-2/h4-7,12-16H,8-11H2,1-3H3
InChIKeyISUNRZJONUHDPY-UHFFFAOYSA-N
XLogP4.70
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.70
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-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine (CID 135334991) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(C)ccn5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is ISUNRZJONUHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-17-4-6-27-24(12-17)30-10-8-29(9-11-30)18-5-7-31-16-21(28-25(31)13-18)19-14-20(26)23(33-3)15-22(19)32-2/h4-7,12-16H,8-11H2,1-3H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 463.97 g/mol, XLogP of 4.70, 5 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-(4-methyl-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135334991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).