3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

C18H20N4 — CID 117162652

IUPAC3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCCN3C)nc3cccnc32)cc1
InChIInChI=1S/C18H20N4/c1-13-7-9-14(10-8-13)22-17-15(5-3-11-19-17)20-18(22)16-6-4-12-21(16)2/h3,5,7-11,16H,4,6,12H2,1-2H3
InChIKeyNVZFNDVXQHJZQU-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.50
Rot. Bonds2

About 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162652) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162652
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCCN3C)nc3cccnc32)cc1
InChIInChI=1S/C18H20N4/c1-13-7-9-14(10-8-13)22-17-15(5-3-11-19-17)20-18(22)16-6-4-12-21(16)2/h3,5,7-11,16H,4,6,12H2,1-2H3
InChIKeyNVZFNDVXQHJZQU-UHFFFAOYSA-N
XLogP3.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162609
3-cyclopentyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162679
3-(3-fluorophenyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163061
2-(1-methylpiperidin-2-yl)-3-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117162978
3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958
2,3-bis(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162335
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162586
3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160981
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117163089
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
2-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162334

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (CID 117162652) is 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(C3CCCN3C)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is NVZFNDVXQHJZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-7-9-14(10-8-13)22-17-15(5-3-11-19-17)20-18(22)16-6-4-12-21(16)2/h3,5,7-11,16H,4,6,12H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 292.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).