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

C15H21FN4O — CID 126695885

IUPAC6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine
SMILESCCN1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C15H21FN4O/c1-2-20-5-3-10(4-6-20)9-21-11-7-12(16)14-13(8-11)18-19-15(14)17/h7-8,10H,2-6,9H2,1H3,(H3,17,18,19)
InChIKeyWYUVQJBMANLJAN-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds4

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

6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine (PubChem CID 126695885) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine
PubChem CID126695885
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine
SMILESCCN1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C15H21FN4O/c1-2-20-5-3-10(4-6-20)9-21-11-7-12(16)14-13(8-11)18-19-15(14)17/h7-8,10H,2-6,9H2,1H3,(H3,17,18,19)
InChIKeyWYUVQJBMANLJAN-UHFFFAOYSA-N
XLogP2.39
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine (CID 126695885) is 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine is CCN1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
The InChIKey is WYUVQJBMANLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-2-20-5-3-10(4-6-20)9-21-11-7-12(16)14-13(8-11)18-19-15(14)17/h7-8,10H,2-6,9H2,1H3,(H3,17,18,19).
What are the key properties of 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine has a molecular weight of 292.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 126695885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).