2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine

C24H22ClN3O — CID 59835871

IUPAC2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESClc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)cn3)nc2)cc1
InChIInChI=1S/C24H22ClN3O/c25-21-6-3-19(4-7-21)20-5-8-22(26-17-20)9-10-23-11-12-24(18-27-23)29-16-15-28-13-1-2-14-28/h3-8,11-12,17-18H,1-2,13-16H2
InChIKeyOAACBHVCHKSSKY-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.67
Rot. Bonds5

About 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine

2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine (PubChem CID 59835871) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine
PubChem CID59835871
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESClc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)cn3)nc2)cc1
InChIInChI=1S/C24H22ClN3O/c25-21-6-3-19(4-7-21)20-5-8-22(26-17-20)9-10-23-11-12-24(18-27-23)29-16-15-28-13-1-2-14-28/h3-8,11-12,17-18H,1-2,13-16H2
InChIKeyOAACBHVCHKSSKY-UHFFFAOYSA-N
XLogP4.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 11504274
5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-8-(2-pyrrolidin-1-ylethoxy)quinoline
CID 10049588
1-[1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 11497172
5-(4-chlorophenyl)-2-[2-[3-(nitrosomethyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 90907153
1-[5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methoxymethanimine
CID 59835849
5-(4-chlorophenyl)-2-[2-[6-(2-piperidin-1-ylethyl)-3-pyridinyl]ethynyl]pyridine
CID 173211366
5-(4-chlorophenyl)-2-[2-[3-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-yl]ethynyl]pyridine
CID 163976853
5-(4-chlorocyclohepta-1,3,6-trien-1-yl)-2-[2-[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 142890002
butyl 4-[1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]piperidin-4-yl]piperidine-1-carboxylate
CID 142675268
5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-3-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one
CID 10095615
1-[5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-pyridinyl]-2-pyrrolidin-1-ylethanamine
CID 142782367
1-[5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 11641633

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine?
The IUPAC name of 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine (CID 59835871) is 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine.
What is the SMILES notation for 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine?
The canonical SMILES for 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine is Clc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)cn3)nc2)cc1.
What is the InChIKey of 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine?
The InChIKey is OAACBHVCHKSSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-21-6-3-19(4-7-21)20-5-8-22(26-17-20)9-10-23-11-12-24(18-27-23)29-16-15-28-13-1-2-14-28/h3-8,11-12,17-18H,1-2,13-16H2.
What are the key properties of 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine?
2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine has a molecular weight of 403.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine is sourced from PubChem (CID 59835871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).