tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate

C17H22FN3O2 — CID 59334622

IUPACtert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
SMILESCn1cc2c(C3CC3CNC(=O)OC(C)(C)C)c(F)ccc2n1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)19-8-10-7-11(10)15-12-9-21(4)20-14(12)6-5-13(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)
InChIKeyWQLFDJCKGMJKIT-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate

tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate (PubChem CID 59334622) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
PubChem CID59334622
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Nametert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
SMILESCn1cc2c(C3CC3CNC(=O)OC(C)(C)C)c(F)ccc2n1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)19-8-10-7-11(10)15-12-9-21(4)20-14(12)6-5-13(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)
InChIKeyWQLFDJCKGMJKIT-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68925073
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[2-(4,5-difluoro-2-propoxyphenyl)cyclopropyl]methyl]carbamate
CID 122461943
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68923896
tert-butyl N-[[2-(2-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 69412013
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
CID 153296016
tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate
CID 122494373
tert-butyl N-[[2-(2,5-difluoroanilino)cyclopentyl]methyl]carbamate
CID 103695556
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate (CID 59334622) is tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate is Cn1cc2c(C3CC3CNC(=O)OC(C)(C)C)c(F)ccc2n1.
What is the InChIKey of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
The InChIKey is WQLFDJCKGMJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)19-8-10-7-11(10)15-12-9-21(4)20-14(12)6-5-13(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate has a molecular weight of 319.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 59334622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).