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

C18H20N4O — CID 117160405

IUPAC3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCOc1cccc(Cn2c(C3CCNC3)nc3cccnc32)c1
InChIInChI=1S/C18H20N4O/c1-23-15-5-2-4-13(10-15)12-22-17(14-7-9-19-11-14)21-16-6-3-8-20-18(16)22/h2-6,8,10,14,19H,7,9,11-12H2,1H3
InChIKeyTVMZVNDKEIPVJJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.57
Rot. Bonds4

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

3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117160405) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117160405
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCOc1cccc(Cn2c(C3CCNC3)nc3cccnc32)c1
InChIInChI=1S/C18H20N4O/c1-23-15-5-2-4-13(10-15)12-22-17(14-7-9-19-11-14)21-16-6-3-8-20-18(16)22/h2-6,8,10,14,19H,7,9,11-12H2,1H3
InChIKeyTVMZVNDKEIPVJJ-UHFFFAOYSA-N
XLogP2.57
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161994
1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
CID 118741696
3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160416
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
2-pyrrolidin-3-yl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117160618
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-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160406
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine (CID 117160405) is 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine is COc1cccc(Cn2c(C3CCNC3)nc3cccnc32)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is TVMZVNDKEIPVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-15-5-2-4-13(10-15)12-22-17(14-7-9-19-11-14)21-16-6-3-8-20-18(16)22/h2-6,8,10,14,19H,7,9,11-12H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 308.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).