1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole

C27H19FN4 — CID 142763274

IUPAC1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole
SMILESFc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C27H19FN4/c28-22-9-6-19(7-10-22)27-23(20-8-12-25-21(14-20)15-29-31-25)11-13-26-24(27)16-30-32(26)17-18-4-2-1-3-5-18/h1-16H,17H2,(H,29,31)
InChIKeyQHTIGOKECKDQQQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP6.43
Rot. Bonds4

About 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole

1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole (PubChem CID 142763274) has the molecular formula C27H19FN4 and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole
PubChem CID142763274
Molecular FormulaC27H19FN4
Molecular Weight418.48 g/mol
Exact Mass418.16
IUPAC Name1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole
SMILESFc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3Cc2ccccc2)cc1
InChIInChI=1S/C27H19FN4/c28-22-9-6-19(7-10-22)27-23(20-8-12-25-21(14-20)15-29-31-25)11-13-26-24(27)16-30-32(26)17-18-4-2-1-3-5-18/h1-16H,17H2,(H,29,31)
InChIKeyQHTIGOKECKDQQQ-UHFFFAOYSA-N
XLogP6.43
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-benzylpyrrolidin-3-yl)-1H-indazole
CID 44231144
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445421
1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 150939945
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
3-phenyl-5-(pyridin-4-yl)-1H-indazole
CID 9878588
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
5-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166056
5-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166057
5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166058
5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
CID 46886344
5-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 53320263

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole (CID 142763274) is 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole is Fc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole?
The InChIKey is QHTIGOKECKDQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4/c28-22-9-6-19(7-10-22)27-23(20-8-12-25-21(14-20)15-29-31-25)11-13-26-24(27)16-30-32(26)17-18-4-2-1-3-5-18/h1-16H,17H2,(H,29,31).
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole?
1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole has a molecular weight of 418.48 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazole is sourced from PubChem (CID 142763274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).