5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole

C24H22Cl2N4 — CID 171347423

IUPAC5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole
SMILESClc1ccc(-n2nc(C3CCNCC3)cc2/C=C/c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H22Cl2N4/c25-18-2-6-20(7-3-18)30-21(14-24(29-30)16-9-11-27-12-10-16)5-1-17-15-28-23-8-4-19(26)13-22(17)23/h1-8,13-16,27-28H,9-12H2/b5-1+
InChIKeyJSDUJUQXOCRZSZ-ORCRQEGFSA-N
MW437.37 g/mol
LogP6.30
Rot. Bonds4

About 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole

5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole (PubChem CID 171347423) has the molecular formula C24H22Cl2N4 and a molecular weight of 437.37 g/mol. Its IUPAC name is 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole
PubChem CID171347423
Molecular FormulaC24H22Cl2N4
Molecular Weight437.37 g/mol
Exact Mass436.12
IUPAC Name5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole
SMILESClc1ccc(-n2nc(C3CCNCC3)cc2/C=C/c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H22Cl2N4/c25-18-2-6-20(7-3-18)30-21(14-24(29-30)16-9-11-27-12-10-16)5-1-17-15-28-23-8-4-19(26)13-22(17)23/h1-8,13-16,27-28H,9-12H2/b5-1+
InChIKeyJSDUJUQXOCRZSZ-ORCRQEGFSA-N
XLogP6.30
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
The IUPAC name of 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole (CID 171347423) is 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole is Clc1ccc(-n2nc(C3CCNCC3)cc2/C=C/c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
The InChIKey is JSDUJUQXOCRZSZ-ORCRQEGFSA-N. The full InChI is InChI=1S/C24H22Cl2N4/c25-18-2-6-20(7-3-18)30-21(14-24(29-30)16-9-11-27-12-10-16)5-1-17-15-28-23-8-4-19(26)13-22(17)23/h1-8,13-16,27-28H,9-12H2/b5-1+.
What are the key properties of 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole has a molecular weight of 437.37 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(E)-2-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole is sourced from PubChem (CID 171347423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).