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

C20H24N4O — CID 53191345

IUPAC3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCCn1c(C2CCN(Cc3ccccc3OC)C2)nc2cccnc21
InChIInChI=1S/C20H24N4O/c1-3-24-19(22-17-8-6-11-21-20(17)24)16-10-12-23(14-16)13-15-7-4-5-9-18(15)25-2/h4-9,11,16H,3,10,12-14H2,1-2H3
InChIKeyQJCPXLWLRKJPRM-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.45
Rot. Bonds5

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

3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 53191345) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID53191345
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCCn1c(C2CCN(Cc3ccccc3OC)C2)nc2cccnc21
InChIInChI=1S/C20H24N4O/c1-3-24-19(22-17-8-6-11-21-20(17)24)16-10-12-23(14-16)13-15-7-4-5-9-18(15)25-2/h4-9,11,16H,3,10,12-14H2,1-2H3
InChIKeyQJCPXLWLRKJPRM-UHFFFAOYSA-N
XLogP3.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 53191345) is 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is CCn1c(C2CCN(Cc3ccccc3OC)C2)nc2cccnc21.
What is the InChIKey of 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is QJCPXLWLRKJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-24-19(22-17-8-6-11-21-20(17)24)16-10-12-23(14-16)13-15-7-4-5-9-18(15)25-2/h4-9,11,16H,3,10,12-14H2,1-2H3.
What are the key properties of 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 336.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 53191345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).