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

C16H23N3O — CID 117165795

IUPAC2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1CC1CCCCO1
InChIInChI=1S/C16H23N3O/c1-12(2)10-15-18-14-7-5-8-17-16(14)19(15)11-13-6-3-4-9-20-13/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3
InChIKeyBSDPNXZXRTVBLJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.20
Rot. Bonds4

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

2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117165795) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117165795
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1CC1CCCCO1
InChIInChI=1S/C16H23N3O/c1-12(2)10-15-18-14-7-5-8-17-16(14)19(15)11-13-6-3-4-9-20-13/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3
InChIKeyBSDPNXZXRTVBLJ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634
2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117159635
2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165668
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117165795) is 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine is CC(C)Cc1nc2cccnc2n1CC1CCCCO1.
What is the InChIKey of 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is BSDPNXZXRTVBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-15-18-14-7-5-8-17-16(14)19(15)11-13-6-3-4-9-20-13/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 273.38 g/mol, XLogP of 3.20, 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-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).