3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine

C22H21N5 — CID 118962434

IUPAC3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(-c3ccc(N4CCCC4)cc3)nc3ccncc32)cn1
InChIInChI=1S/C22H21N5/c1-16-4-7-19(14-24-16)27-21-15-23-11-10-20(21)25-22(27)17-5-8-18(9-6-17)26-12-2-3-13-26/h4-11,14-15H,2-3,12-13H2,1H3
InChIKeyISJIRQJKFLCQOZ-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.39
Rot. Bonds3

About 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine

3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine (PubChem CID 118962434) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine
PubChem CID118962434
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(-c3ccc(N4CCCC4)cc3)nc3ccncc32)cn1
InChIInChI=1S/C22H21N5/c1-16-4-7-19(14-24-16)27-21-15-23-11-10-20(21)25-22(27)17-5-8-18(9-6-17)26-12-2-3-13-26/h4-11,14-15H,2-3,12-13H2,1H3
InChIKeyISJIRQJKFLCQOZ-UHFFFAOYSA-N
XLogP4.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine (CID 118962434) is 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine is Cc1ccc(-n2c(-c3ccc(N4CCCC4)cc3)nc3ccncc32)cn1.
What is the InChIKey of 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is ISJIRQJKFLCQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-16-4-7-19(14-24-16)27-21-15-23-11-10-20(21)25-22(27)17-5-8-18(9-6-17)26-12-2-3-13-26/h4-11,14-15H,2-3,12-13H2,1H3.
What are the key properties of 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine?
3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 355.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-pyridinyl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 118962434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).