6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C23H30ClN3O — CID 3694158

IUPAC6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCCOc1ccc(-c2nc3ccc(Cl)cn3c2NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C23H30ClN3O/c1-7-28-18-11-8-16(9-12-18)20-21(26-23(5,6)15-22(2,3)4)27-14-17(24)10-13-19(27)25-20/h8-14,26H,7,15H2,1-6H3
InChIKeyYAGNQTSFHIAZLY-UHFFFAOYSA-N
MW399.97 g/mol
LogP6.68
Rot. Bonds6

About 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3694158) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3694158
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCCOc1ccc(-c2nc3ccc(Cl)cn3c2NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C23H30ClN3O/c1-7-28-18-11-8-16(9-12-18)20-21(26-23(5,6)15-22(2,3)4)27-14-17(24)10-13-19(27)25-20/h8-14,26H,7,15H2,1-6H3
InChIKeyYAGNQTSFHIAZLY-UHFFFAOYSA-N
XLogP6.68
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.97
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3573491
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-fluorobenzoate
CID 5038944
6-chloro-2-(4-methoxyphenyl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-3-amine
CID 861013
2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 858071
6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3890399
ethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-6-chloroimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 3416173
[4-[6-bromo-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4521142
2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 858000
ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 34314660
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-chlorobenzoate
CID 4659736
6-chloro-N-(2-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 6952225
[2-(4-ethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 3694158) is 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is CCOc1ccc(-c2nc3ccc(Cl)cn3c2NC(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is YAGNQTSFHIAZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-7-28-18-11-8-16(9-12-18)20-21(26-23(5,6)15-22(2,3)4)27-14-17(24)10-13-19(27)25-20/h8-14,26H,7,15H2,1-6H3.
What are the key properties of 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 399.97 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3694158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).