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

C18H20N4 — CID 117160416

IUPAC3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCc1ccccc1Cn1c(C2CCNC2)nc2cccnc21
InChIInChI=1S/C18H20N4/c1-13-5-2-3-6-15(13)12-22-17(14-8-10-19-11-14)21-16-7-4-9-20-18(16)22/h2-7,9,14,19H,8,10-12H2,1H3
InChIKeyUNAVKSWBKQNZDA-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.86
Rot. Bonds3

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

3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117160416) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117160416
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCc1ccccc1Cn1c(C2CCNC2)nc2cccnc21
InChIInChI=1S/C18H20N4/c1-13-5-2-3-6-15(13)12-22-17(14-8-10-19-11-14)21-16-7-4-9-20-18(16)22/h2-7,9,14,19H,8,10-12H2,1H3
InChIKeyUNAVKSWBKQNZDA-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437
2-pyrrolidin-3-yl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117160618
3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160405
4-[2-(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117160602
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161994
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165030
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97416544
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine (CID 117160416) is 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine is Cc1ccccc1Cn1c(C2CCNC2)nc2cccnc21.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is UNAVKSWBKQNZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-5-2-3-6-15(13)12-22-17(14-8-10-19-11-14)21-16-7-4-9-20-18(16)22/h2-7,9,14,19H,8,10-12H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 292.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).