5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine

C24H22ClN3O — CID 10024145

IUPAC5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine
SMILESClc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)nc3)nc2)cc1
InChIInChI=1S/C24H22ClN3O/c25-22-8-5-20(6-9-22)21-7-11-23(26-18-21)10-3-19-4-12-24(27-17-19)29-16-15-28-13-1-2-14-28/h4-9,11-12,17-18H,1-2,13-16H2
InChIKeyRHXDZQVXANGHQR-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.67
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine

5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine (PubChem CID 10024145) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine
PubChem CID10024145
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine
SMILESClc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)nc3)nc2)cc1
InChIInChI=1S/C24H22ClN3O/c25-22-8-5-20(6-9-22)21-7-11-23(26-18-21)10-3-19-4-12-24(27-17-19)29-16-15-28-13-1-2-14-28/h4-9,11-12,17-18H,1-2,13-16H2
InChIKeyRHXDZQVXANGHQR-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

3-(4-Chloro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480243
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-4-yl-ethyl)-pyridine
CID 10426859
2-Chloro-3-(2-pyridin-2-yl-vinyl)-5-(pyrrolidin-2-ylmethoxy)-pyridine
CID 10903166
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-2-yl-vinyl)-pyridine
CID 10947475
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-4-yl-vinyl)-pyridine
CID 11724148
2-chloro-5-[[(2S)-1-(111C)methylpyrrolidin-2-yl]methoxy]-3-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 15520880
3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enyloxy)-pyridine
CID 44403653
2-chloro-3-(2-fluoro-4-pyridinyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 45270067
2-Chloro-3-(4-chloro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 9822806
5-(4-Chloro-phenyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
CID 9978490
13-Chloro-2-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10094317
5-(4-Methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 10386162

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine?
The IUPAC name of 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine (CID 10024145) is 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine is Clc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)nc3)nc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine?
The InChIKey is RHXDZQVXANGHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-22-8-5-20(6-9-22)21-7-11-23(26-18-21)10-3-19-4-12-24(27-17-19)29-16-15-28-13-1-2-14-28/h4-9,11-12,17-18H,1-2,13-16H2.
What are the key properties of 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine?
5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]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 5-(4-chlorophenyl)-2-[2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]ethynyl]pyridine is sourced from PubChem (CID 10024145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).