1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol

C13H20N4O — CID 66002160

IUPAC1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol
SMILESCC(C)n1c(CC(C)(O)CN)nc2cccnc21
InChIInChI=1S/C13H20N4O/c1-9(2)17-11(7-13(3,18)8-14)16-10-5-4-6-15-12(10)17/h4-6,9,18H,7-8,14H2,1-3H3
InChIKeyCKNICTJIYSQRQY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.26
Rot. Bonds4

About 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol

1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol (PubChem CID 66002160) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol
PubChem CID66002160
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol
SMILESCC(C)n1c(CC(C)(O)CN)nc2cccnc21
InChIInChI=1S/C13H20N4O/c1-9(2)17-11(7-13(3,18)8-14)16-10-5-4-6-15-12(10)17/h4-6,9,18H,7-8,14H2,1-3H3
InChIKeyCKNICTJIYSQRQY-UHFFFAOYSA-N
XLogP1.26
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol (CID 66002160) is 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol is CC(C)n1c(CC(C)(O)CN)nc2cccnc21.
What is the InChIKey of 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol?
The InChIKey is CKNICTJIYSQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)17-11(7-13(3,18)8-14)16-10-5-4-6-15-12(10)17/h4-6,9,18H,7-8,14H2,1-3H3.
What are the key properties of 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol?
1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol has a molecular weight of 248.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propan-2-ol is sourced from PubChem (CID 66002160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).