tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate

C15H19F2N3O3 — CID 171437057

IUPACtert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2cnn(CC(F)F)c12
InChIInChI=1S/C15H19F2N3O3/c1-15(2,3)23-14(21)19-10-6-5-9-7-18-20(8-11(16)17)12(9)13(10)22-4/h5-7,11H,8H2,1-4H3,(H,19,21)
InChIKeyUFBQVWCBPISUNZ-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate

tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate (PubChem CID 171437057) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate
PubChem CID171437057
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Nametert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate
SMILESCOc1c(NC(=O)OC(C)(C)C)ccc2cnn(CC(F)F)c12
InChIInChI=1S/C15H19F2N3O3/c1-15(2,3)23-14(21)19-10-6-5-9-7-18-20(8-11(16)17)12(9)13(10)22-4/h5-7,11H,8H2,1-4H3,(H,19,21)
InChIKeyUFBQVWCBPISUNZ-UHFFFAOYSA-N
XLogP3.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[7-methoxy-1-(2,2,2-trifluoroethyl)indazol-6-yl]carbamate
CID 171437031
tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
CID 171597592
tert-butyl N-[2-(2,2-difluoroethyl)pyrazol-3-yl]carbamate
CID 163333219
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
(7-methoxy-1-methylindazol-6-yl)carbamic acid
CID 174225914
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
CID 167266134
tert-butyl N-[3-chloro-4-(2,2-difluoroethyl)-2-fluorophenyl]carbamate
CID 166539698
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate (CID 171437057) is tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate is COc1c(NC(=O)OC(C)(C)C)ccc2cnn(CC(F)F)c12.
What is the InChIKey of tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate?
The InChIKey is UFBQVWCBPISUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3/c1-15(2,3)23-14(21)19-10-6-5-9-7-18-20(8-11(16)17)12(9)13(10)22-4/h5-7,11H,8H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate?
tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate has a molecular weight of 327.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate is sourced from PubChem (CID 171437057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).