3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine

C15H16N4O — CID 81135364

IUPAC3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOCc1ccccc1-n1c(N)nc2ccc(C)nc21
InChIInChI=1S/C15H16N4O/c1-10-7-8-12-14(17-10)19(15(16)18-12)13-6-4-3-5-11(13)9-20-2/h3-8H,9H2,1-2H3,(H2,16,18)
InChIKeySRKYEDXEQOTYLZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.46
Rot. Bonds3

About 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine

3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81135364) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81135364
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOCc1ccccc1-n1c(N)nc2ccc(C)nc21
InChIInChI=1S/C15H16N4O/c1-10-7-8-12-14(17-10)19(15(16)18-12)13-6-4-3-5-11(13)9-20-2/h3-8H,9H2,1-2H3,(H2,16,18)
InChIKeySRKYEDXEQOTYLZ-UHFFFAOYSA-N
XLogP2.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81135364) is 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine is COCc1ccccc1-n1c(N)nc2ccc(C)nc21.
What is the InChIKey of 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is SRKYEDXEQOTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-7-8-12-14(17-10)19(15(16)18-12)13-6-4-3-5-11(13)9-20-2/h3-8H,9H2,1-2H3,(H2,16,18).
What are the key properties of 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)phenyl]-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81135364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).