3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole

C24H19ClN4S — CID 15541529

IUPAC3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole
SMILESClc1ccc(-c2[nH]nc(SCCc3c[nH]c4ccccc34)c2-c2ccncc2)cc1
InChIInChI=1S/C24H19ClN4S/c25-19-7-5-17(6-8-19)23-22(16-9-12-26-13-10-16)24(29-28-23)30-14-11-18-15-27-21-4-2-1-3-20(18)21/h1-10,12-13,15,27H,11,14H2,(H,28,29)
InChIKeyLTFNRPSQIBLURY-UHFFFAOYSA-N
MW430.96 g/mol
LogP6.61
Rot. Bonds6

About 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole

3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole (PubChem CID 15541529) has the molecular formula C24H19ClN4S and a molecular weight of 430.96 g/mol. Its IUPAC name is 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole
PubChem CID15541529
Molecular FormulaC24H19ClN4S
Molecular Weight430.96 g/mol
Exact Mass430.10
IUPAC Name3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole
SMILESClc1ccc(-c2[nH]nc(SCCc3c[nH]c4ccccc34)c2-c2ccncc2)cc1
InChIInChI=1S/C24H19ClN4S/c25-19-7-5-17(6-8-19)23-22(16-9-12-26-13-10-16)24(29-28-23)30-14-11-18-15-27-21-4-2-1-3-20(18)21/h1-10,12-13,15,27H,11,14H2,(H,28,29)
InChIKeyLTFNRPSQIBLURY-UHFFFAOYSA-N
XLogP6.61
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole with MolForge

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Related Compounds

2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 22944119
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(1H-indol-3-yl)ethanamine
CID 56676119
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
3-(4-chlorophenyl)sulfanyl-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558539
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710938
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 44587808
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine
CID 20660576
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
3-pyridin-4-yl-1H-indole
CID 159430533

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole (CID 15541529) is 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole is Clc1ccc(-c2[nH]nc(SCCc3c[nH]c4ccccc34)c2-c2ccncc2)cc1.
What is the InChIKey of 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole?
The InChIKey is LTFNRPSQIBLURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4S/c25-19-7-5-17(6-8-19)23-22(16-9-12-26-13-10-16)24(29-28-23)30-14-11-18-15-27-21-4-2-1-3-20(18)21/h1-10,12-13,15,27H,11,14H2,(H,28,29).
What are the key properties of 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole?
3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole has a molecular weight of 430.96 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethyl]-1H-indole is sourced from PubChem (CID 15541529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).