2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine

C21H23N3O2 — CID 42738420

IUPAC2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC3CCCCC3)c(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C21H23N3O2/c1-14-6-5-11-24-20(14)23-19(21(24)22-16-7-3-2-4-8-16)15-9-10-17-18(12-15)26-13-25-17/h5-6,9-12,16,22H,2-4,7-8,13H2,1H3
InChIKeyQBURRAXNXJDKDV-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.78
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine

2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 42738420) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID42738420
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(NC3CCCCC3)c(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C21H23N3O2/c1-14-6-5-11-24-20(14)23-19(21(24)22-16-7-3-2-4-8-16)15-9-10-17-18(12-15)26-13-25-17/h5-6,9-12,16,22H,2-4,7-8,13H2,1H3
InChIKeyQBURRAXNXJDKDV-UHFFFAOYSA-N
XLogP4.78
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine (CID 42738420) is 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine is Cc1cccn2c(NC3CCCCC3)c(-c3ccc4c(c3)OCO4)nc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is QBURRAXNXJDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-5-11-24-20(14)23-19(21(24)22-16-7-3-2-4-8-16)15-9-10-17-18(12-15)26-13-25-17/h5-6,9-12,16,22H,2-4,7-8,13H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine?
2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 349.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-8-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42738420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).