4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine

C12H15FN4O — CID 126696190

IUPAC4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine
SMILESCN1CC(COc2cc(F)c3c(N)n[nH]c3c2)C1
InChIInChI=1S/C12H15FN4O/c1-17-4-7(5-17)6-18-8-2-9(13)11-10(3-8)15-16-12(11)14/h2-3,7H,4-6H2,1H3,(H3,14,15,16)
InChIKeyGYUKXTOTESWOSM-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.22
Rot. Bonds3

About 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine

4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine (PubChem CID 126696190) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine
PubChem CID126696190
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine
SMILESCN1CC(COc2cc(F)c3c(N)n[nH]c3c2)C1
InChIInChI=1S/C12H15FN4O/c1-17-4-7(5-17)6-18-8-2-9(13)11-10(3-8)15-16-12(11)14/h2-3,7H,4-6H2,1H3,(H3,14,15,16)
InChIKeyGYUKXTOTESWOSM-UHFFFAOYSA-N
XLogP1.22
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine?
The IUPAC name of 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine (CID 126696190) is 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine.
What is the SMILES notation for 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine?
The canonical SMILES for 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine is CN1CC(COc2cc(F)c3c(N)n[nH]c3c2)C1.
What is the InChIKey of 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine?
The InChIKey is GYUKXTOTESWOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-17-4-7(5-17)6-18-8-2-9(13)11-10(3-8)15-16-12(11)14/h2-3,7H,4-6H2,1H3,(H3,14,15,16).
What are the key properties of 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine?
4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine has a molecular weight of 250.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(1-methylazetidin-3-yl)methoxy]-1H-indazol-3-amine is sourced from PubChem (CID 126696190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).