3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine

C18H20N4O — CID 117161401

IUPAC3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccccc1-n1c(CC2CCNC2)nc2cccnc21
InChIInChI=1S/C18H20N4O/c1-23-16-7-3-2-6-15(16)22-17(11-13-8-10-19-12-13)21-14-5-4-9-20-18(14)22/h2-7,9,13,19H,8,10-12H2,1H3
InChIKeyQAULZKRFTVSPOJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine

3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161401) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161401
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccccc1-n1c(CC2CCNC2)nc2cccnc21
InChIInChI=1S/C18H20N4O/c1-23-16-7-3-2-6-15(16)22-17(11-13-8-10-19-12-13)21-14-5-4-9-20-18(14)22/h2-7,9,13,19H,8,10-12H2,1H3
InChIKeyQAULZKRFTVSPOJ-UHFFFAOYSA-N
XLogP2.58
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164076
3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164082
3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159751
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161399
2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol
CID 117161394
3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163804

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117161401) is 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine is COc1ccccc1-n1c(CC2CCNC2)nc2cccnc21.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QAULZKRFTVSPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-16-7-3-2-6-15(16)22-17(11-13-8-10-19-12-13)21-14-5-4-9-20-18(14)22/h2-7,9,13,19H,8,10-12H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 308.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).