3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine

C14H12N4O2 — CID 79277003

IUPAC3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N4O2/c1-8-4-5-16-13-12(8)17-14(15)18(13)9-2-3-10-11(6-9)20-7-19-10/h2-6H,7H2,1H3,(H2,15,17)
InChIKeyNAIBTNHRPHJVRB-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.04
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine

3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79277003) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79277003
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N4O2/c1-8-4-5-16-13-12(8)17-14(15)18(13)9-2-3-10-11(6-9)20-7-19-10/h2-6H,7H2,1H3,(H2,15,17)
InChIKeyNAIBTNHRPHJVRB-UHFFFAOYSA-N
XLogP2.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79277003) is 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2-c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is NAIBTNHRPHJVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-4-5-16-13-12(8)17-14(15)18(13)9-2-3-10-11(6-9)20-7-19-10/h2-6H,7H2,1H3,(H2,15,17).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine?
3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79277003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).