2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine

C22H31N3O — CID 11552112

IUPAC2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCCCCCCCC(C)(C)Nc1c(-c2ccoc2)nc2cc(C)ccn12
InChIInChI=1S/C22H31N3O/c1-5-6-7-8-9-12-22(3,4)24-21-20(18-11-14-26-16-18)23-19-15-17(2)10-13-25(19)21/h10-11,13-16,24H,5-9,12H2,1-4H3
InChIKeyWFMTXGBQFIIQRP-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.45
Rot. Bonds9

About 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine

2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 11552112) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID11552112
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCCCCCCCC(C)(C)Nc1c(-c2ccoc2)nc2cc(C)ccn12
InChIInChI=1S/C22H31N3O/c1-5-6-7-8-9-12-22(3,4)24-21-20(18-11-14-26-16-18)23-19-15-17(2)10-13-25(19)21/h10-11,13-16,24H,5-9,12H2,1-4H3
InChIKeyWFMTXGBQFIIQRP-UHFFFAOYSA-N
XLogP6.45
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 11552112) is 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine is CCCCCCCC(C)(C)Nc1c(-c2ccoc2)nc2cc(C)ccn12.
What is the InChIKey of 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is WFMTXGBQFIIQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-6-7-8-9-12-22(3,4)24-21-20(18-11-14-26-16-18)23-19-15-17(2)10-13-25(19)21/h10-11,13-16,24H,5-9,12H2,1-4H3.
What are the key properties of 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 353.51 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-7-methyl-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 11552112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).