2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C20H27N3O — CID 809499

IUPAC2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccco3)nc2c1
InChIInChI=1S/C20H27N3O/c1-14-9-10-23-16(12-14)21-17(15-8-7-11-24-15)18(23)22-20(5,6)13-19(2,3)4/h7-12,22H,13H2,1-6H3
InChIKeyQGULRPZFZKOBNQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.53
Rot. Bonds4

About 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 809499) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID809499
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccco3)nc2c1
InChIInChI=1S/C20H27N3O/c1-14-9-10-23-16(12-14)21-17(15-8-7-11-24-15)18(23)22-20(5,6)13-19(2,3)4/h7-12,22H,13H2,1-6H3
InChIKeyQGULRPZFZKOBNQ-UHFFFAOYSA-N
XLogP5.53
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 809499) is 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccco3)nc2c1.
What is the InChIKey of 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is QGULRPZFZKOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14-9-10-23-16(12-14)21-17(15-8-7-11-24-15)18(23)22-20(5,6)13-19(2,3)4/h7-12,22H,13H2,1-6H3.
What are the key properties of 2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 325.46 g/mol, XLogP of 5.53, 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)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 809499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).