2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine

C16H23N3O — CID 117165662

IUPAC2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1CC1CCOCC1
InChIInChI=1S/C16H23N3O/c1-12(2)10-15-18-14-4-3-7-17-16(14)19(15)11-13-5-8-20-9-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3
InChIKeyXCOCSPDLCMEQFQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine

2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117165662) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117165662
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1CC1CCOCC1
InChIInChI=1S/C16H23N3O/c1-12(2)10-15-18-14-4-3-7-17-16(14)19(15)11-13-5-8-20-9-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3
InChIKeyXCOCSPDLCMEQFQ-UHFFFAOYSA-N
XLogP3.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165668
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
2-(1-chloroethyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 79295118
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165937
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164786

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117165662) is 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine is CC(C)Cc1nc2cccnc2n1CC1CCOCC1.
What is the InChIKey of 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is XCOCSPDLCMEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-15-18-14-4-3-7-17-16(14)19(15)11-13-5-8-20-9-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 273.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).