tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate

C30H30FN5O2 — CID 142763276

IUPACtert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(F)cc4)c(-c4ccc5[nH]ncc5c4)ccc32)CC1
InChIInChI=1S/C30H30FN5O2/c1-30(2,3)38-29(37)35-14-12-23(13-15-35)36-27-11-9-24(20-6-10-26-21(16-20)17-32-34-26)28(25(27)18-33-36)19-4-7-22(31)8-5-19/h4-11,16-18,23H,12-15H2,1-3H3,(H,32,34)
InChIKeyHMPJWXBLQBLXLI-UHFFFAOYSA-N
MW511.60 g/mol
LogP6.96
Rot. Bonds3

About tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate (PubChem CID 142763276) has the molecular formula C30H30FN5O2 and a molecular weight of 511.60 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate
PubChem CID142763276
Molecular FormulaC30H30FN5O2
Molecular Weight511.60 g/mol
Exact Mass511.24
IUPAC Nametert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(F)cc4)c(-c4ccc5[nH]ncc5c4)ccc32)CC1
InChIInChI=1S/C30H30FN5O2/c1-30(2,3)38-29(37)35-14-12-23(13-15-35)36-27-11-9-24(20-6-10-26-21(16-20)17-32-34-26)28(25(27)18-33-36)19-4-7-22(31)8-5-19/h4-11,16-18,23H,12-15H2,1-3H3,(H,32,34)
InChIKeyHMPJWXBLQBLXLI-UHFFFAOYSA-N
XLogP6.96
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[bis(1-methylindazol-5-yl)methyl]piperazine-1-carboxylate
CID 71656798
tert-butyl (3-((3-((1H-indazol-5-yl)amino)piperidin-1-yl)methyl)benzyl)carbamate
CID 25008847
US11247989, Example 54
CID 132186429
US11247989, Example 140
CID 132186599
1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 171342992
N-[3-fluoro-4-[5-methyl-4-(5-methyl-1H-indazol-4-yl)-3-propan-2-ylpyrazol-1-yl]phenyl]prop-2-enamide
CID 171350800
N-[3-fluoro-4-[4-methyl-5-(5-methyl-1H-indazol-4-yl)-1-propan-2-ylpyrazol-3-yl]phenyl]prop-2-enamide
CID 171353762
N-[4-[3,5-dimethyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-3-fluorophenyl]prop-2-enamide
CID 171357524
US20250115583, Example 123
CID 168960997
US20250115583, Example 122
CID 168961075
US20250115583, Example 118
CID 169012506
tert-butyl 2-(2,6-dimethylphenyl)-3-(1H-indazol-5-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 145744930

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate (CID 142763276) is tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ncc3c(-c4ccc(F)cc4)c(-c4ccc5[nH]ncc5c4)ccc32)CC1.
What is the InChIKey of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate?
The InChIKey is HMPJWXBLQBLXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O2/c1-30(2,3)38-29(37)35-14-12-23(13-15-35)36-27-11-9-24(20-6-10-26-21(16-20)17-32-34-26)28(25(27)18-33-36)19-4-7-22(31)8-5-19/h4-11,16-18,23H,12-15H2,1-3H3,(H,32,34).
What are the key properties of tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate has a molecular weight of 511.60 g/mol, XLogP of 6.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)indazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142763276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).