2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine

C18H20N4 — CID 117165419

IUPAC2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2C2CCCN2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-14(9-7-13)12-17-21-15-4-2-11-20-18(15)22(17)16-5-3-10-19-16/h2,4,6-9,11,16,19H,3,5,10,12H2,1H3
InChIKeyGPRIPVLYHWLYKH-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.21
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine

2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117165419) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
PubChem CID117165419
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2C2CCCN2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-14(9-7-13)12-17-21-15-4-2-11-20-18(15)22(17)16-5-3-10-19-16/h2,4,6-9,11,16,19H,3,5,10,12H2,1H3
InChIKeyGPRIPVLYHWLYKH-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[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-ethyl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165723
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117166385
3-pyrrolidin-2-yl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163944
3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163688
3-piperidin-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164809
4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165404
2-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162334
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine (CID 117165419) is 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine is Cc1ccc(Cc2nc3cccnc3n2C2CCCN2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is GPRIPVLYHWLYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-6-8-14(9-7-13)12-17-21-15-4-2-11-20-18(15)22(17)16-5-3-10-19-16/h2,4,6-9,11,16,19H,3,5,10,12H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 292.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117165419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).