tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate

C18H24FN3O2 — CID 175156416

IUPACtert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate
SMILESCc1cc2c(F)[nH]nc2cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24FN3O2/c1-11-9-14-15(20-21-16(14)19)10-13(11)12-5-7-22(8-6-12)17(23)24-18(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,20,21)
InChIKeyZVAMTHYOQQTPHP-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.12
Rot. Bonds1

About tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate

tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate (PubChem CID 175156416) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate
PubChem CID175156416
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Nametert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate
SMILESCc1cc2c(F)[nH]nc2cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24FN3O2/c1-11-9-14-15(20-21-16(14)19)10-13(11)12-5-7-22(8-6-12)17(23)24-18(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,20,21)
InChIKeyZVAMTHYOQQTPHP-UHFFFAOYSA-N
XLogP4.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-acetyl-4-piperidinyl)-6-fluoro-1H-indazole
CID 14032627
6-fluoro-3-(1-methoxycarbonyl-4-piperidinyl)-1H-indazole
CID 23048178
Tert-butyl 4-(5-fluoro-1H-indazol-3-YL)piperidine-1-carboxylate
CID 49761193
Tert-butyl 3-(4-fluorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate
CID 57364151
1,1-dimethylethyl 4-(6-{5-[(ethylamino)carbonyl]-3-fluoro-2-methylphenyl}-1H-indazol-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate
CID 58899604
tert-butyl (3R,4R)-3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine-1-carboxylate
CID 67468825
tert-butyl N-[(2S)-1-[3-ethyl-6-(trifluoromethyl)-2H-indazol-4-yl]propan-2-yl]carbamate
CID 70187275
tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate
CID 70187454
tert-butyl N-[(2S)-1-(5,6-difluoro-3-methyl-2H-indazol-4-yl)propan-2-yl]carbamate
CID 70187960
tert-Butyl 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 71281599
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(6-fluoro-2H-indazol-3-yl)piperidine-1-carboxylate
CID 89480934
Tert-butyl 3-(4-ethenyl-3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 90754717

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate (CID 175156416) is tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate is Cc1cc2c(F)[nH]nc2cc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate?
The InChIKey is ZVAMTHYOQQTPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-11-9-14-15(20-21-16(14)19)10-13(11)12-5-7-22(8-6-12)17(23)24-18(2,3)4/h9-10,12H,5-8H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-fluoro-5-methyl-2H-indazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175156416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).