2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine

C17H17N3O2 — CID 82355851

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc4c(c3)OCCCO4)c(N)n2c1
InChIInChI=1S/C17H17N3O2/c1-11-3-6-15-19-16(17(18)20(15)10-11)12-4-5-13-14(9-12)22-8-2-7-21-13/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyKSNBMUCBFKLAHC-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.05
Rot. Bonds1

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 82355851) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID82355851
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc4c(c3)OCCCO4)c(N)n2c1
InChIInChI=1S/C17H17N3O2/c1-11-3-6-15-19-16(17(18)20(15)10-11)12-4-5-13-14(9-12)22-8-2-7-21-13/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyKSNBMUCBFKLAHC-UHFFFAOYSA-N
XLogP3.05
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688055
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 82055303
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617091
2-(4-tert-butylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618444
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809308
2-(4-cyclopropylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 79972250
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823432
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 55248194

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 82355851) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccc4c(c3)OCCCO4)c(N)n2c1.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is KSNBMUCBFKLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-3-6-15-19-16(17(18)20(15)10-11)12-4-5-13-14(9-12)22-8-2-7-21-13/h3-6,9-10H,2,7-8,18H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 295.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 82355851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).