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

C19H22N4S — CID 95110411

IUPAC3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCSc1ccc(CN2CC[C@@H](c3nc4cccnc4n3C)C2)cc1
InChIInChI=1S/C19H22N4S/c1-22-18(21-17-4-3-10-20-19(17)22)15-9-11-23(13-15)12-14-5-7-16(24-2)8-6-14/h3-8,10,15H,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyXMFSQJUQAXHSEB-OAHLLOKOSA-N
MW338.48 g/mol
LogP3.68
Rot. Bonds4

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

3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 95110411) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID95110411
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCSc1ccc(CN2CC[C@@H](c3nc4cccnc4n3C)C2)cc1
InChIInChI=1S/C19H22N4S/c1-22-18(21-17-4-3-10-20-19(17)22)15-9-11-23(13-15)12-14-5-7-16(24-2)8-6-14/h3-8,10,15H,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyXMFSQJUQAXHSEB-OAHLLOKOSA-N
XLogP3.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191327
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 95110255
1-[(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95110073
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
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
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 87054380
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-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 95110411) is 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is CSc1ccc(CN2CC[C@@H](c3nc4cccnc4n3C)C2)cc1.
What is the InChIKey of 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is XMFSQJUQAXHSEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4S/c1-22-18(21-17-4-3-10-20-19(17)22)15-9-11-23(13-15)12-14-5-7-16(24-2)8-6-14/h3-8,10,15H,9,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 338.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 95110411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).