4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole

C21H11Cl3N6 — CID 123491611

IUPAC4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole
SMILESClc1ccc2c(-c3cc4[nH]ncc4c(Cl)c3-c3n[nH]c4ccc(Cl)cc34)n[nH]c2c1
InChIInChI=1S/C21H11Cl3N6/c22-9-2-4-15-12(5-9)21(30-27-15)18-13(7-17-14(19(18)24)8-25-26-17)20-11-3-1-10(23)6-16(11)28-29-20/h1-8H,(H,25,26)(H,27,30)(H,28,29)
InChIKeyXHVSKCMUGTWXHW-UHFFFAOYSA-N
MW453.72 g/mol
LogP6.61
Rot. Bonds2

About 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole

4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole (PubChem CID 123491611) has the molecular formula C21H11Cl3N6 and a molecular weight of 453.72 g/mol. Its IUPAC name is 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole
PubChem CID123491611
Molecular FormulaC21H11Cl3N6
Molecular Weight453.72 g/mol
Exact Mass452.01
IUPAC Name4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole
SMILESClc1ccc2c(-c3cc4[nH]ncc4c(Cl)c3-c3n[nH]c4ccc(Cl)cc34)n[nH]c2c1
InChIInChI=1S/C21H11Cl3N6/c22-9-2-4-15-12(5-9)21(30-27-15)18-13(7-17-14(19(18)24)8-25-26-17)20-11-3-1-10(23)6-16(11)28-29-20/h1-8H,(H,25,26)(H,27,30)(H,28,29)
InChIKeyXHVSKCMUGTWXHW-UHFFFAOYSA-N
XLogP6.61
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.72
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645459
6-chloro-4-phenyl-1H-indazole
CID 127047863
5-Chloronaphthodiazole
CID 19847255
6-chloro-4-[(1R,2R)-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropyl]-1H-indazole
CID 177661767
5-chloro-4-[(1R,2R)-2-(2,3-dihydro-1H-isoindol-5-yl)cyclopropyl]-1H-indazole
CID 177662374
N-[(6-chloro-1H-indazol-4-yl)methyl]-2,3-dihydro-1H-isoindol-5-amine
CID 177662603
(1S,8R)-N-[(6-chloro-1H-indazol-4-yl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-amine
CID 177663804
6-chloro-4-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]-1H-indazole
CID 177665527
6-chloro-4-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]-1H-indazole
CID 177665572
1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine
CID 58368572
4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole
CID 123626539
5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole
CID 134304229

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole?
The IUPAC name of 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole (CID 123491611) is 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole.
What is the SMILES notation for 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole?
The canonical SMILES for 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole is Clc1ccc2c(-c3cc4[nH]ncc4c(Cl)c3-c3n[nH]c4ccc(Cl)cc34)n[nH]c2c1.
What is the InChIKey of 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole?
The InChIKey is XHVSKCMUGTWXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl3N6/c22-9-2-4-15-12(5-9)21(30-27-15)18-13(7-17-14(19(18)24)8-25-26-17)20-11-3-1-10(23)6-16(11)28-29-20/h1-8H,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole?
4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole has a molecular weight of 453.72 g/mol, XLogP of 6.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole is sourced from PubChem (CID 123491611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).