[6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine

C14H22FN3OS — CID 134604809

IUPAC[6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine
SMILESCS(C)(C)CCOCn1ncc2ccc(F)c(CN)c21
InChIInChI=1S/C14H22FN3OS/c1-20(2,3)7-6-19-10-18-14-11(9-17-18)4-5-13(15)12(14)8-16/h4-5,9H,6-8,10,16H2,1-3H3
InChIKeyNBBGQCSQINHSQV-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.30
Rot. Bonds6

About [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine

[6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine (PubChem CID 134604809) has the molecular formula C14H22FN3OS and a molecular weight of 299.42 g/mol. Its IUPAC name is [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine
PubChem CID134604809
Molecular FormulaC14H22FN3OS
Molecular Weight299.42 g/mol
Exact Mass299.15
IUPAC Name[6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine
SMILESCS(C)(C)CCOCn1ncc2ccc(F)c(CN)c21
InChIInChI=1S/C14H22FN3OS/c1-20(2,3)7-6-19-10-18-14-11(9-17-18)4-5-13(15)12(14)8-16/h4-5,9H,6-8,10,16H2,1-3H3
InChIKeyNBBGQCSQINHSQV-UHFFFAOYSA-N
XLogP2.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
CID 163233761
2-[(6-chloropyrazolo[3,4-b]pyrazin-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane;ethane
CID 177223130
5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-amine
CID 155421362
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 165175428
1-(ethoxymethyl)indazol-6-amine
CID 65369977
2-fluoro-5-[2-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]benzimidazol-2-yl]-1,3-benzoxazol-6-yl]aniline
CID 126657703
5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane
CID 145093113
2-[(4-ethynylpyrazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 134251199
2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 118030481
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
CID 171502060

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine?
The IUPAC name of [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine (CID 134604809) is [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine.
What is the SMILES notation for [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine?
The canonical SMILES for [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine is CS(C)(C)CCOCn1ncc2ccc(F)c(CN)c21.
What is the InChIKey of [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine?
The InChIKey is NBBGQCSQINHSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3OS/c1-20(2,3)7-6-19-10-18-14-11(9-17-18)4-5-13(15)12(14)8-16/h4-5,9H,6-8,10,16H2,1-3H3.
What are the key properties of [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine?
[6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indazol-7-yl]methanamine is sourced from PubChem (CID 134604809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).