2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine

C21H21N3O3 — CID 647695

IUPAC2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3cccc(C)n3c2NCc2ccco2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-14-6-4-8-19-23-20(15-9-10-17(25-2)18(12-15)26-3)21(24(14)19)22-13-16-7-5-11-27-16/h4-12,22H,13H2,1-3H3
InChIKeyIDWAPSXAPXTTPF-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.53
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine

2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 647695) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID647695
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(-c2nc3cccc(C)n3c2NCc2ccco2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-14-6-4-8-19-23-20(15-9-10-17(25-2)18(12-15)26-3)21(24(14)19)22-13-16-7-5-11-27-16/h4-12,22H,13H2,1-3H3
InChIKeyIDWAPSXAPXTTPF-UHFFFAOYSA-N
XLogP4.53
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 647695) is 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine is COc1ccc(-c2nc3cccc(C)n3c2NCc2ccco2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is IDWAPSXAPXTTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-6-4-8-19-23-20(15-9-10-17(25-2)18(12-15)26-3)21(24(14)19)22-13-16-7-5-11-27-16/h4-12,22H,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 363.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 647695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).