3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine

C16H18N4O — CID 106261885

IUPAC3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccccc1CCn1c(N)nc2c(C)ccnc21
InChIInChI=1S/C16H18N4O/c1-11-7-9-18-15-14(11)19-16(17)20(15)10-8-12-5-3-4-6-13(12)21-2/h3-7,9H,8,10H2,1-2H3,(H2,17,19)
InChIKeyKINARBWWRZVSIR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.57
Rot. Bonds4

About 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine

3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 106261885) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID106261885
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccccc1CCn1c(N)nc2c(C)ccnc21
InChIInChI=1S/C16H18N4O/c1-11-7-9-18-15-14(11)19-16(17)20(15)10-8-12-5-3-4-6-13(12)21-2/h3-7,9H,8,10H2,1-2H3,(H2,17,19)
InChIKeyKINARBWWRZVSIR-UHFFFAOYSA-N
XLogP2.57
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 106261885) is 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is COc1ccccc1CCn1c(N)nc2c(C)ccnc21.
What is the InChIKey of 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is KINARBWWRZVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-7-9-18-15-14(11)19-16(17)20(15)10-8-12-5-3-4-6-13(12)21-2/h3-7,9H,8,10H2,1-2H3,(H2,17,19).
What are the key properties of 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 106261885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).