N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine

C19H15N3O3 — CID 7066849

IUPACN-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n12
InChIInChI=1S/C19H15N3O3/c1-12-4-2-6-17-21-18(15-5-3-9-23-15)19(22(12)17)20-13-7-8-14-16(10-13)25-11-24-14/h2-10,20H,11H2,1H3
InChIKeyVHYZVYWNMRZJFN-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.38
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 7066849) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID7066849
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n12
InChIInChI=1S/C19H15N3O3/c1-12-4-2-6-17-21-18(15-5-3-9-23-15)19(22(12)17)20-13-7-8-14-16(10-13)25-11-24-14/h2-10,20H,11H2,1H3
InChIKeyVHYZVYWNMRZJFN-UHFFFAOYSA-N
XLogP4.38
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 7066849) is N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine is Cc1cccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is VHYZVYWNMRZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-4-2-6-17-21-18(15-5-3-9-23-15)19(22(12)17)20-13-7-8-14-16(10-13)25-11-24-14/h2-10,20H,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 333.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7066849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).