6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine

C17H25FN4O — CID 126695910

IUPAC6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine
SMILESCCC(C)N1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C17H25FN4O/c1-3-11(2)22-6-4-12(5-7-22)10-23-13-8-14(18)16-15(9-13)20-21-17(16)19/h8-9,11-12H,3-7,10H2,1-2H3,(H3,19,20,21)
InChIKeyXRLJMZGBKQZHRH-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.17
Rot. Bonds5

About 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine

6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine (PubChem CID 126695910) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine
PubChem CID126695910
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine
SMILESCCC(C)N1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C17H25FN4O/c1-3-11(2)22-6-4-12(5-7-22)10-23-13-8-14(18)16-15(9-13)20-21-17(16)19/h8-9,11-12H,3-7,10H2,1-2H3,(H3,19,20,21)
InChIKeyXRLJMZGBKQZHRH-UHFFFAOYSA-N
XLogP3.17
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
The IUPAC name of 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine (CID 126695910) is 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine.
What is the SMILES notation for 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
The canonical SMILES for 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine is CCC(C)N1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1.
What is the InChIKey of 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
The InChIKey is XRLJMZGBKQZHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-3-11(2)22-6-4-12(5-7-22)10-23-13-8-14(18)16-15(9-13)20-21-17(16)19/h8-9,11-12H,3-7,10H2,1-2H3,(H3,19,20,21).
What are the key properties of 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine?
6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine has a molecular weight of 320.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-butan-2-ylpiperidin-4-yl)methoxy]-4-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 126695910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).