2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine

C21H21N3O — CID 3533283

IUPAC2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccco3)c(Nc3ccc(C(C)C)cc3)n2c1
InChIInChI=1S/C21H21N3O/c1-14(2)16-7-9-17(10-8-16)22-21-20(18-5-4-12-25-18)23-19-11-6-15(3)13-24(19)21/h4-14,22H,1-3H3
InChIKeyBXEINGLXUVJFPU-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.77
Rot. Bonds4

About 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine

2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3533283) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3533283
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccco3)c(Nc3ccc(C(C)C)cc3)n2c1
InChIInChI=1S/C21H21N3O/c1-14(2)16-7-9-17(10-8-16)22-21-20(18-5-4-12-25-18)23-19-11-6-15(3)13-24(19)21/h4-14,22H,1-3H3
InChIKeyBXEINGLXUVJFPU-UHFFFAOYSA-N
XLogP5.77
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_C(6)', 'substructure': 'N/A'}

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Related Compounds

Vipadenant
CID 21874557
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
3-[(4-Amino-3-ethylphenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874756

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 3533283) is 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccco3)c(Nc3ccc(C(C)C)cc3)n2c1.
What is the InChIKey of 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is BXEINGLXUVJFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14(2)16-7-9-17(10-8-16)22-21-20(18-5-4-12-25-18)23-19-11-6-15(3)13-24(19)21/h4-14,22H,1-3H3.
What are the key properties of 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 331.42 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-methyl-N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3533283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).