4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole

C27H26FN5 — CID 142763271

IUPAC4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole
SMILESCN1CCCC1CCn1ncc2c(-c3ccc(F)cc3)c(-c3ccc4[nH]ncc4c3)ccc21
InChIInChI=1S/C27H26FN5/c1-32-13-2-3-22(32)12-14-33-26-11-9-23(19-6-10-25-20(15-19)16-29-31-25)27(24(26)17-30-33)18-4-7-21(28)8-5-18/h4-11,15-17,22H,2-3,12-14H2,1H3,(H,29,31)
InChIKeyXRBXQVACCWRDSN-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.87
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole

4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole (PubChem CID 142763271) 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-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole
PubChem CID142763271
Molecular FormulaC27H26FN5
Molecular Weight439.54 g/mol
Exact Mass439.22
IUPAC Name4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole
SMILESCN1CCCC1CCn1ncc2c(-c3ccc(F)cc3)c(-c3ccc4[nH]ncc4c3)ccc21
InChIInChI=1S/C27H26FN5/c1-32-13-2-3-22(32)12-14-33-26-11-9-23(19-6-10-25-20(15-19)16-29-31-25)27(24(26)17-30-33)18-4-7-21(28)8-5-18/h4-11,15-17,22H,2-3,12-14H2,1H3,(H,29,31)
InChIKeyXRBXQVACCWRDSN-UHFFFAOYSA-N
XLogP5.87
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 162675739
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
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146433315

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole (CID 142763271) is 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole is CN1CCCC1CCn1ncc2c(-c3ccc(F)cc3)c(-c3ccc4[nH]ncc4c3)ccc21.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole?
The InChIKey is XRBXQVACCWRDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5/c1-32-13-2-3-22(32)12-14-33-26-11-9-23(19-6-10-25-20(15-19)16-29-31-25)27(24(26)17-30-33)18-4-7-21(28)8-5-18/h4-11,15-17,22H,2-3,12-14H2,1H3,(H,29,31).
What are the key properties of 4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole?
4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole has a molecular weight of 439.54 g/mol, XLogP of 5.87, 5 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-[2-(1-methylpyrrolidin-2-yl)ethyl]indazole is sourced from PubChem (CID 142763271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).