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

C24H22Cl2N4 — CID 135462833

IUPAC5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole
SMILESClc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
InChIKeyPWSCBDGDOLMHFP-GQCTYLIASA-N
MW437.37 g/mol
LogP6.30
Rot. Bonds4

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

5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole (PubChem CID 135462833) has the molecular formula C24H22Cl2N4 and a molecular weight of 437.37 g/mol. Its IUPAC name is 5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole
PubChem CID135462833
Molecular FormulaC24H22Cl2N4
Molecular Weight437.37 g/mol
Exact Mass436.12
IUPAC Name5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole
SMILESClc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
InChIKeyPWSCBDGDOLMHFP-GQCTYLIASA-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-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
The IUPAC name of 5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole (CID 135462833) is 5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole is Clc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2c[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
The InChIKey is PWSCBDGDOLMHFP-GQCTYLIASA-N. The full InChI is InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+.
What are the key properties of 5-chloro-3-[(E)-2-[1-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole?
5-chloro-3-[(E)-2-[1-(3-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-(3-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]ethenyl]-1H-indole is sourced from PubChem (CID 135462833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).