2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone

C20H21ClN4O2 — CID 83275804

IUPAC2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCn1c(CC2CCN(C(=O)COc3cccc(Cl)c3)C2)nc2cccnc21
InChIInChI=1S/C20H21ClN4O2/c1-24-18(23-17-6-3-8-22-20(17)24)10-14-7-9-25(12-14)19(26)13-27-16-5-2-4-15(21)11-16/h2-6,8,11,14H,7,9-10,12-13H2,1H3
InChIKeyHZPAZRIRENCONV-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone

2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 83275804) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID83275804
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCn1c(CC2CCN(C(=O)COc3cccc(Cl)c3)C2)nc2cccnc21
InChIInChI=1S/C20H21ClN4O2/c1-24-18(23-17-6-3-8-22-20(17)24)10-14-7-9-25(12-14)19(26)13-27-16-5-2-4-15(21)11-16/h2-6,8,11,14H,7,9-10,12-13H2,1H3
InChIKeyHZPAZRIRENCONV-UHFFFAOYSA-N
XLogP3.09
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-[(3S)-3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95112419
methyl 3-[[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carbonyl]amino]propanoate
CID 53194516
4-[[(3S)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95862686
1-(4-chloro-3-methylpiperidin-1-yl)-2-(3-chlorophenoxy)ethanone
CID 114683193
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 78979812
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371114
2-(2-chloro-6-fluorophenyl)-1-[3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 71835934
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
2-phenoxy-1-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108195
1-[(3R)-3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97429258
1-[3-(2-bromoethyl)piperidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 80669972

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone (CID 83275804) is 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone is Cn1c(CC2CCN(C(=O)COc3cccc(Cl)c3)C2)nc2cccnc21.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HZPAZRIRENCONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-24-18(23-17-6-3-8-22-20(17)24)10-14-7-9-25(12-14)19(26)13-27-16-5-2-4-15(21)11-16/h2-6,8,11,14H,7,9-10,12-13H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 384.87 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83275804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).