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

C19H22N4 — CID 53191327

IUPAC3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1ccc(CN2CCC(c3nc4cccnc4n3C)C2)cc1
InChIInChI=1S/C19H22N4/c1-14-5-7-15(8-6-14)12-23-11-9-16(13-23)18-21-17-4-3-10-20-19(17)22(18)2/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyCKPIMFYBGBJKNH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.27
Rot. Bonds3

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

3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 53191327) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID53191327
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1ccc(CN2CCC(c3nc4cccnc4n3C)C2)cc1
InChIInChI=1S/C19H22N4/c1-14-5-7-15(8-6-14)12-23-11-9-16(13-23)18-21-17-4-3-10-20-19(17)22(18)2/h3-8,10,16H,9,11-13H2,1-2H3
InChIKeyCKPIMFYBGBJKNH-UHFFFAOYSA-N
XLogP3.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110411
1-[(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95110073
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
N-(3,5-dimethylphenyl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054297
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191350
3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 53191327) is 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is Cc1ccc(CN2CCC(c3nc4cccnc4n3C)C2)cc1.
What is the InChIKey of 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is CKPIMFYBGBJKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-5-7-15(8-6-14)12-23-11-9-16(13-23)18-21-17-4-3-10-20-19(17)22(18)2/h3-8,10,16H,9,11-13H2,1-2H3.
What are the key properties of 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 53191327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).