[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C20H21Cl2N3O3 — CID 133406453

IUPAC[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(N2CCC(Oc3cccc(Cl)c3)C2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H21Cl2N3O3/c21-15-2-1-3-16(11-15)28-17-4-5-25(13-17)19-18(22)10-14(12-23-19)20(26)24-6-8-27-9-7-24/h1-3,10-12,17H,4-9,13H2
InChIKeyPZZKVZRMOMSSMI-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.52
Rot. Bonds4

About [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133406453) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133406453
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(N2CCC(Oc3cccc(Cl)c3)C2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H21Cl2N3O3/c21-15-2-1-3-16(11-15)28-17-4-5-25(13-17)19-18(22)10-14(12-23-19)20(26)24-6-8-27-9-7-24/h1-3,10-12,17H,4-9,13H2
InChIKeyPZZKVZRMOMSSMI-UHFFFAOYSA-N
XLogP3.52
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133464886
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376
[1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 133273395
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 67958118
[5-chloro-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133300707
[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10319071
2-[3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977338
[6-(5-bromo-1,3-dihydroisoindol-2-yl)-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133471711
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133406453) is [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(N2CCC(Oc3cccc(Cl)c3)C2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is PZZKVZRMOMSSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c21-15-2-1-3-16(11-15)28-17-4-5-25(13-17)19-18(22)10-14(12-23-19)20(26)24-6-8-27-9-7-24/h1-3,10-12,17H,4-9,13H2.
What are the key properties of [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 422.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133406453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).