2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C23H31N3O3 — CID 69337528

IUPAC2-[5-(1,3-dioxolan-2-yl)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(-c3ccc(C4OCCO4)o3)nc2c1
InChIInChI=1S/C23H31N3O3/c1-15-9-10-26-18(13-15)24-19(20(26)25-23(5,6)14-22(2,3)4)16-7-8-17(29-16)21-27-11-12-28-21/h7-10,13,21,25H,11-12,14H2,1-6H3
InChIKeyKZUZZCJDWIVWBE-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.57
Rot. Bonds5

About 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 69337528) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID69337528
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[5-(1,3-dioxolan-2-yl)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(-c3ccc(C4OCCO4)o3)nc2c1
InChIInChI=1S/C23H31N3O3/c1-15-9-10-26-18(13-15)24-19(20(26)25-23(5,6)14-22(2,3)4)16-7-8-17(29-16)21-27-11-12-28-21/h7-10,13,21,25H,11-12,14H2,1-6H3
InChIKeyKZUZZCJDWIVWBE-UHFFFAOYSA-N
XLogP5.57
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 69337528) is 2-[5-(1,3-dioxolan-2-yl)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-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-[5-(1,3-dioxolan-2-yl)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(-c3ccc(C4OCCO4)o3)nc2c1.
What is the InChIKey of 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is KZUZZCJDWIVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15-9-10-26-18(13-15)24-19(20(26)25-23(5,6)14-22(2,3)4)16-7-8-17(29-16)21-27-11-12-28-21/h7-10,13,21,25H,11-12,14H2,1-6H3.
What are the key properties of 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 397.52 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 69337528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).