tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate

C16H21FN4O2 — CID 168902473

IUPACtert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(F)c3[nH]ncc3c2)CC1
InChIInChI=1S/C16H21FN4O2/c1-16(2,3)23-15(22)21-6-4-20(5-7-21)12-8-11-10-18-19-14(11)13(17)9-12/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyUGPOHCWHBBYYJN-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.76
Rot. Bonds1

About tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate

tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate (PubChem CID 168902473) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate
PubChem CID168902473
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Nametert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(F)c3[nH]ncc3c2)CC1
InChIInChI=1S/C16H21FN4O2/c1-16(2,3)23-15(22)21-6-4-20(5-7-21)12-8-11-10-18-19-14(11)13(17)9-12/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyUGPOHCWHBBYYJN-UHFFFAOYSA-N
XLogP2.76
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(7-fluoro-1H-indazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 168902365
tert-butyl 4-[7-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]carbamoyl]-1H-indazol-5-yl]piperazine-1-carboxylate
CID 164564377
tert-butyl 4-[5-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 166021875
dimethyl 3-fluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzene-1,2-dicarboxylate;ethane
CID 142327290
tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate
CID 142528304
tert-butyl 4-(4-bromo-3-fluorophenyl)piperazine-1-carboxylate
CID 67388604
tritert-butyl 10-(4-methylsulfanylphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 102191974
tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
tert-butyl 4-(4-fluoro-3-formylphenyl)piperazine-1-carboxylate
CID 162443618
tert-butyl 4-(4-chloro-5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
CID 166859455
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
CID 135347163

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate (CID 168902473) is tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(F)c3[nH]ncc3c2)CC1.
What is the InChIKey of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate?
The InChIKey is UGPOHCWHBBYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-16(2,3)23-15(22)21-6-4-20(5-7-21)12-8-11-10-18-19-14(11)13(17)9-12/h8-10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-fluoro-1H-indazol-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 168902473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).