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

C21H29N3O — CID 11551833

IUPAC2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCCCCCCC(C)(C)Nc1c(-c2ccoc2)nc2cc(C)ccn12
InChIInChI=1S/C21H29N3O/c1-5-6-7-8-11-21(3,4)23-20-19(17-10-13-25-15-17)22-18-14-16(2)9-12-24(18)20/h9-10,12-15,23H,5-8,11H2,1-4H3
InChIKeyQMVRCJKGHXRBKQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.06
Rot. Bonds8

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

2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 11551833) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID11551833
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCCCCCCC(C)(C)Nc1c(-c2ccoc2)nc2cc(C)ccn12
InChIInChI=1S/C21H29N3O/c1-5-6-7-8-11-21(3,4)23-20-19(17-10-13-25-15-17)22-18-14-16(2)9-12-24(18)20/h9-10,12-15,23H,5-8,11H2,1-4H3
InChIKeyQMVRCJKGHXRBKQ-UHFFFAOYSA-N
XLogP6.06
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.06
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-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 11551833) is 2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine is CCCCCCC(C)(C)Nc1c(-c2ccoc2)nc2cc(C)ccn12.
What is the InChIKey of 2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is QMVRCJKGHXRBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-6-7-8-11-21(3,4)23-20-19(17-10-13-25-15-17)22-18-14-16(2)9-12-24(18)20/h9-10,12-15,23H,5-8,11H2,1-4H3.
What are the key properties of 2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(furan-3-yl)-7-methyl-N-(2-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 339.48 g/mol, XLogP of 6.06, 8 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-methyloctan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 11551833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).