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

C22H28FN3 — CID 5297529

IUPAC2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(NC(C)(C)CC(C)(C)C)n2c1
InChIInChI=1S/C22H28FN3/c1-15-7-12-18-24-19(16-8-10-17(23)11-9-16)20(26(18)13-15)25-22(5,6)14-21(2,3)4/h7-13,25H,14H2,1-6H3
InChIKeySMMRCVHQIKBJAV-UHFFFAOYSA-N
MW353.49 g/mol
LogP6.08
Rot. Bonds4

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

2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 5297529) has the molecular formula C22H28FN3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID5297529
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(NC(C)(C)CC(C)(C)C)n2c1
InChIInChI=1S/C22H28FN3/c1-15-7-12-18-24-19(16-8-10-17(23)11-9-16)20(26(18)13-15)25-22(5,6)14-21(2,3)4/h7-13,25H,14H2,1-6H3
InChIKeySMMRCVHQIKBJAV-UHFFFAOYSA-N
XLogP6.08
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine 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 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 5297529) is 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccc(F)cc3)c(NC(C)(C)CC(C)(C)C)n2c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is SMMRCVHQIKBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c1-15-7-12-18-24-19(16-8-10-17(23)11-9-16)20(26(18)13-15)25-22(5,6)14-21(2,3)4/h7-13,25H,14H2,1-6H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 353.49 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 5297529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).