4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole

C27H26FN5 — CID 142763277

IUPAC4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole
SMILESFc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3CCCN2CCCC2)cc1
InChIInChI=1S/C27H26FN5/c28-22-7-4-19(5-8-22)27-23(20-6-10-25-21(16-20)17-29-31-25)9-11-26-24(27)18-30-33(26)15-3-14-32-12-1-2-13-32/h4-11,16-18H,1-3,12-15H2,(H,29,31)
InChIKeyQQUKLKDPHQJYRA-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.87
Rot. Bonds6

About 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole

4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole (PubChem CID 142763277) has the molecular formula C27H26FN5 and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole
PubChem CID142763277
Molecular FormulaC27H26FN5
Molecular Weight439.54 g/mol
Exact Mass439.22
IUPAC Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole
SMILESFc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3CCCN2CCCC2)cc1
InChIInChI=1S/C27H26FN5/c28-22-7-4-19(5-8-22)27-23(20-6-10-25-21(16-20)17-29-31-25)9-11-26-24(27)18-30-33(26)15-3-14-32-12-1-2-13-32/h4-11,16-18H,1-3,12-15H2,(H,29,31)
InChIKeyQQUKLKDPHQJYRA-UHFFFAOYSA-N
XLogP5.87
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
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
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole (CID 142763277) is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole is Fc1ccc(-c2c(-c3ccc4[nH]ncc4c3)ccc3c2cnn3CCCN2CCCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole?
The InChIKey is QQUKLKDPHQJYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5/c28-22-7-4-19(5-8-22)27-23(20-6-10-25-21(16-20)17-29-31-25)9-11-26-24(27)18-30-33(26)15-3-14-32-12-1-2-13-32/h4-11,16-18H,1-3,12-15H2,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole?
4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole has a molecular weight of 439.54 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-(3-pyrrolidin-1-ylpropyl)indazole is sourced from PubChem (CID 142763277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).