6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine

C27H29ClN2O2 — CID 163368581

IUPAC6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc2ncc(-c3ccc(OC(C)(C)C)cc3)n2cc1-c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C27H29ClN2O2/c1-17(2)31-25-12-9-20(14-23(25)28)22-16-30-24(15-29-26(30)13-18(22)3)19-7-10-21(11-8-19)32-27(4,5)6/h7-17H,1-6H3
InChIKeyMSPGLOCMZMKZPR-UHFFFAOYSA-N
MW448.99 g/mol
LogP7.59
Rot. Bonds5

About 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine

6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine (PubChem CID 163368581) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine
PubChem CID163368581
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC Name6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine
SMILESCc1cc2ncc(-c3ccc(OC(C)(C)C)cc3)n2cc1-c1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C27H29ClN2O2/c1-17(2)31-25-12-9-20(14-23(25)28)22-16-30-24(15-29-26(30)13-18(22)3)19-7-10-21(11-8-19)32-27(4,5)6/h7-17H,1-6H3
InChIKeyMSPGLOCMZMKZPR-UHFFFAOYSA-N
XLogP7.59
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine 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 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine (CID 163368581) is 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine is Cc1cc2ncc(-c3ccc(OC(C)(C)C)cc3)n2cc1-c1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is MSPGLOCMZMKZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-17(2)31-25-12-9-20(14-23(25)28)22-16-30-24(15-29-26(30)13-18(22)3)19-7-10-21(11-8-19)32-27(4,5)6/h7-17H,1-6H3.
What are the key properties of 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine?
6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 448.99 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-propan-2-yloxyphenyl)-7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 163368581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).