2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine

C19H21N3O2 — CID 809308

IUPAC2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc4c(c3)OCO4)c(NC(C)(C)C)n2c1
InChIInChI=1S/C19H21N3O2/c1-12-5-8-16-20-17(18(22(16)10-12)21-19(2,3)4)13-6-7-14-15(9-13)24-11-23-14/h5-10,21H,11H2,1-4H3
InChIKeyRATPZIKSRFDLIY-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.25
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine

2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 809308) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID809308
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc4c(c3)OCO4)c(NC(C)(C)C)n2c1
InChIInChI=1S/C19H21N3O2/c1-12-5-8-16-20-17(18(22(16)10-12)21-19(2,3)4)13-6-7-14-15(9-13)24-11-23-14/h5-10,21H,11H2,1-4H3
InChIKeyRATPZIKSRFDLIY-UHFFFAOYSA-N
XLogP4.25
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 102498211
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
4-[3-(tert-butylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 856450
2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 5206181
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 82355851
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688055
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
CID 42738374
N-tert-butyl-6-methyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 809305
2-(3,4-dimethoxyphenyl)-6-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3573491

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine (CID 809308) is 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccc4c(c3)OCO4)c(NC(C)(C)C)n2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is RATPZIKSRFDLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-5-8-16-20-17(18(22(16)10-12)21-19(2,3)4)13-6-7-14-15(9-13)24-11-23-14/h5-10,21H,11H2,1-4H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine?
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 323.40 g/mol, XLogP of 4.25, 2 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-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 809308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).