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

C20H24N4O — CID 95110449

IUPAC3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCCn1c([C@@H]2CCN(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/t16-/m1/s1
InChIKeyQJCPXLWLRKJPRM-MRXNPFEDSA-N
MW336.44 g/mol
LogP3.45
Rot. Bonds5

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

3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 95110449) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID95110449
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCCn1c([C@@H]2CCN(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/t16-/m1/s1
InChIKeyQJCPXLWLRKJPRM-MRXNPFEDSA-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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Related Compounds

2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162517
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97416544
2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 118739859
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97416537
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191350
2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 97416546
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 95110449) is 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is CCn1c([C@@H]2CCN(Cc3ccccc3OC)C2)nc2cccnc21.
What is the InChIKey of 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is QJCPXLWLRKJPRM-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of 3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
3-ethyl-2-[(3R)-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-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 95110449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).