3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine

C12H16N4O — CID 114119894

IUPAC3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOC1CC(n2c(N)nc3cc(C)cnc32)C1
InChIInChI=1S/C12H16N4O/c1-7-3-10-11(14-6-7)16(12(13)15-10)8-4-9(5-8)17-2/h3,6,8-9H,4-5H2,1-2H3,(H2,13,15)
InChIKeyWCBGCNWGVISVOR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.67
Rot. Bonds2

About 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine

3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 114119894) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID114119894
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOC1CC(n2c(N)nc3cc(C)cnc32)C1
InChIInChI=1S/C12H16N4O/c1-7-3-10-11(14-6-7)16(12(13)15-10)8-4-9(5-8)17-2/h3,6,8-9H,4-5H2,1-2H3,(H2,13,15)
InChIKeyWCBGCNWGVISVOR-UHFFFAOYSA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine (CID 114119894) is 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine is COC1CC(n2c(N)nc3cc(C)cnc32)C1.
What is the InChIKey of 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is WCBGCNWGVISVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-3-10-11(14-6-7)16(12(13)15-10)8-4-9(5-8)17-2/h3,6,8-9H,4-5H2,1-2H3,(H2,13,15).
What are the key properties of 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclobutyl)-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 114119894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).