N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine

C20H17N3O3 — CID 7066861

IUPACN-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(C)o3)nc2c1
InChIInChI=1S/C20H17N3O3/c1-12-7-8-23-18(9-12)22-19(16-5-3-13(2)26-16)20(23)21-14-4-6-15-17(10-14)25-11-24-15/h3-10,21H,11H2,1-2H3
InChIKeyKVELZMIBMBSXPU-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.68
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7066861) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7066861
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(C)o3)nc2c1
InChIInChI=1S/C20H17N3O3/c1-12-7-8-23-18(9-12)22-19(16-5-3-13(2)26-16)20(23)21-14-4-6-15-17(10-14)25-11-24-15/h3-10,21H,11H2,1-2H3
InChIKeyKVELZMIBMBSXPU-UHFFFAOYSA-N
XLogP4.68
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.68
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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Related Compounds

3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
2-(furan-2-yl)-N-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 7066853
N-(benzo[d][1,3]dioxol-5-yl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602770
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 3237768
2-(5-methylfuran-2-yl)-N-phenylimidazo[1,2-a]pyrazin-3-amine
CID 5308934
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 7066849
N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 7066850
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 9550690
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 11371348
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide
CID 44188382

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 7066861) is N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(C)o3)nc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is KVELZMIBMBSXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-7-8-23-18(9-12)22-19(16-5-3-13(2)26-16)20(23)21-14-4-6-15-17(10-14)25-11-24-15/h3-10,21H,11H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 347.37 g/mol, XLogP of 4.68, 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)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7066861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).