3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine

C16H17N3O — CID 117166531

IUPAC3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(C(C)C)nc3cccnc32)cc1
InChIInChI=1S/C16H17N3O/c1-11(2)15-18-14-5-4-10-17-16(14)19(15)12-6-8-13(20-3)9-7-12/h4-11H,1-3H3
InChIKeyIPZJKPZWRLXHAI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.55
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine

3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 117166531) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID117166531
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(C(C)C)nc3cccnc32)cc1
InChIInChI=1S/C16H17N3O/c1-11(2)15-18-14-5-4-10-17-16(14)19(15)12-6-8-13(20-3)9-7-12/h4-11H,1-3H3
InChIKeyIPZJKPZWRLXHAI-UHFFFAOYSA-N
XLogP3.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine (CID 117166531) is 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine is COc1ccc(-n2c(C(C)C)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is IPZJKPZWRLXHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(2)15-18-14-5-4-10-17-16(14)19(15)12-6-8-13(20-3)9-7-12/h4-11H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine?
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 267.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117166531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).