5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole

C21H16Cl2N4 — CID 24779697

IUPAC5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole
SMILESCn1cc(-c2cc(-c3cn(C)c4ccc(Cl)cc34)[nH]n2)c2cc(Cl)ccc21
InChIInChI=1S/C21H16Cl2N4/c1-26-10-16(14-7-12(22)3-5-20(14)26)18-9-19(25-24-18)17-11-27(2)21-6-4-13(23)8-15(17)21/h3-11H,1-2H3,(H,24,25)
InChIKeyULHDGHLSWLMACI-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.03
Rot. Bonds2

About 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole

5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole (PubChem CID 24779697) has the molecular formula C21H16Cl2N4 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole.

Molecular Properties

Compound Name5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole
PubChem CID24779697
Molecular FormulaC21H16Cl2N4
Molecular Weight395.29 g/mol
Exact Mass394.08
IUPAC Name5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole
SMILESCn1cc(-c2cc(-c3cn(C)c4ccc(Cl)cc34)[nH]n2)c2cc(Cl)ccc21
InChIInChI=1S/C21H16Cl2N4/c1-26-10-16(14-7-12(22)3-5-20(14)26)18-9-19(25-24-18)17-11-27(2)21-6-4-13(23)8-15(17)21/h3-11H,1-2H3,(H,24,25)
InChIKeyULHDGHLSWLMACI-UHFFFAOYSA-N
XLogP6.03
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole?
The IUPAC name of 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole (CID 24779697) is 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole.
What is the SMILES notation for 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole?
The canonical SMILES for 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole is Cn1cc(-c2cc(-c3cn(C)c4ccc(Cl)cc34)[nH]n2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole?
The InChIKey is ULHDGHLSWLMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4/c1-26-10-16(14-7-12(22)3-5-20(14)26)18-9-19(25-24-18)17-11-27(2)21-6-4-13(23)8-15(17)21/h3-11H,1-2H3,(H,24,25).
What are the key properties of 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole?
5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole has a molecular weight of 395.29 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(5-chloro-1-methylindol-3-yl)-1H-pyrazol-5-yl]-1-methylindole is sourced from PubChem (CID 24779697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).