4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole

C23H14ClF3N6 — CID 123626539

IUPAC4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole
SMILESCc1cccc2[nH]nc(-c3cc(C(F)(F)F)c4[nH]ncc4c3-c3[nH]nc4c(Cl)cccc34)c12
InChIInChI=1S/C23H14ClF3N6/c1-10-4-2-7-16-17(10)22(32-29-16)12-8-14(23(25,26)27)19-13(9-28-30-19)18(12)21-11-5-3-6-15(24)20(11)31-33-21/h2-9H,1H3,(H,28,30)(H,29,32)(H,31,33)
InChIKeyZWQUUDOMJMHTRI-UHFFFAOYSA-N
MW466.85 g/mol
LogP6.63
Rot. Bonds2

About 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole

4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole (PubChem CID 123626539) has the molecular formula C23H14ClF3N6 and a molecular weight of 466.85 g/mol. Its IUPAC name is 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole
PubChem CID123626539
Molecular FormulaC23H14ClF3N6
Molecular Weight466.85 g/mol
Exact Mass466.09
IUPAC Name4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole
SMILESCc1cccc2[nH]nc(-c3cc(C(F)(F)F)c4[nH]ncc4c3-c3[nH]nc4c(Cl)cccc34)c12
InChIInChI=1S/C23H14ClF3N6/c1-10-4-2-7-16-17(10)22(32-29-16)12-8-14(23(25,26)27)19-13(9-28-30-19)18(12)21-11-5-3-6-15(24)20(11)31-33-21/h2-9H,1H3,(H,28,30)(H,29,32)(H,31,33)
InChIKeyZWQUUDOMJMHTRI-UHFFFAOYSA-N
XLogP6.63
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.85
LogP ≤ 56.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645461
6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645462
6-(3-chlorophenyl)-1H-indazole
CID 145958414
4-cyclopentyl-6-[4-(2,3-difluorophenyl)-1H-pyrazol-5-yl]-3-ethyl-2H-indazole
CID 69556975
4-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 89783048
4-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-indazole
CID 89783101
4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 89783145
4-[4-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-indazole
CID 89783601
4-(1H-indazol-5-yl)-6-(trifluoromethyl)-1H-indazole
CID 89794850
4-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)-1H-indazole
CID 91018669
5-chloro-2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)benzenecarboximidamide
CID 117665583

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole (CID 123626539) is 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole is Cc1cccc2[nH]nc(-c3cc(C(F)(F)F)c4[nH]ncc4c3-c3[nH]nc4c(Cl)cccc34)c12.
What is the InChIKey of 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole?
The InChIKey is ZWQUUDOMJMHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N6/c1-10-4-2-7-16-17(10)22(32-29-16)12-8-14(23(25,26)27)19-13(9-28-30-19)18(12)21-11-5-3-6-15(24)20(11)31-33-21/h2-9H,1H3,(H,28,30)(H,29,32)(H,31,33).
What are the key properties of 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole?
4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole has a molecular weight of 466.85 g/mol, XLogP of 6.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-2H-indazol-3-yl)-5-(4-methyl-1H-indazol-3-yl)-7-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 123626539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).