(3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine

C12H16N4O — CID 84695839

IUPAC(3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine
SMILESCOc1ccnc2c1nc(CN)n2C1CCC1
InChIInChI=1S/C12H16N4O/c1-17-9-5-6-14-12-11(9)15-10(7-13)16(12)8-3-2-4-8/h5-6,8H,2-4,7,13H2,1H3
InChIKeyPEVGZRHGKBZPIT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.62
Rot. Bonds3

About (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine

(3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine (PubChem CID 84695839) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine
PubChem CID84695839
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine
SMILESCOc1ccnc2c1nc(CN)n2C1CCC1
InChIInChI=1S/C12H16N4O/c1-17-9-5-6-14-12-11(9)15-10(7-13)16(12)8-3-2-4-8/h5-6,8H,2-4,7,13H2,1H3
InChIKeyPEVGZRHGKBZPIT-UHFFFAOYSA-N
XLogP1.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine?
The IUPAC name of (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine (CID 84695839) is (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine.
What is the SMILES notation for (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine?
The canonical SMILES for (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine is COc1ccnc2c1nc(CN)n2C1CCC1.
What is the InChIKey of (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine?
The InChIKey is PEVGZRHGKBZPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-9-5-6-14-12-11(9)15-10(7-13)16(12)8-3-2-4-8/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine?
(3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 84695839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).