tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate

C17H24FN3O2 — CID 70187454

IUPACtert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate
SMILESCCc1[nH]nc2cc(F)cc(C[C@H](C)NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C17H24FN3O2/c1-6-13-15-11(8-12(18)9-14(15)21-20-13)7-10(2)19-16(22)23-17(3,4)5/h8-10H,6-7H2,1-5H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyZLJGKFIHIKYIID-JTQLQIEISA-N
MW321.40 g/mol
LogP3.72
Rot. Bonds4

About tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate (PubChem CID 70187454) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate
PubChem CID70187454
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Nametert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate
SMILESCCc1[nH]nc2cc(F)cc(C[C@H](C)NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C17H24FN3O2/c1-6-13-15-11(8-12(18)9-14(15)21-20-13)7-10(2)19-16(22)23-17(3,4)5/h8-10H,6-7H2,1-5H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKeyZLJGKFIHIKYIID-JTQLQIEISA-N
XLogP3.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate (CID 70187454) is tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate is CCc1[nH]nc2cc(F)cc(C[C@H](C)NC(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate?
The InChIKey is ZLJGKFIHIKYIID-JTQLQIEISA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-6-13-15-11(8-12(18)9-14(15)21-20-13)7-10(2)19-16(22)23-17(3,4)5/h8-10H,6-7H2,1-5H3,(H,19,22)(H,20,21)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate has a molecular weight of 321.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(3-ethyl-6-fluoro-2H-indazol-4-yl)propan-2-yl]carbamate is sourced from PubChem (CID 70187454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).