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

C17H25FN4O — CID 126695881

IUPAC4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine
SMILESCC(C)CN1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C17H25FN4O/c1-11(2)9-22-5-3-12(4-6-22)10-23-13-7-14(18)16-15(8-13)20-21-17(16)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H3,19,20,21)
InChIKeyMWBIFKRMKZAVIX-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.03
Rot. Bonds5

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

4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine (PubChem CID 126695881) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine.

Molecular Properties

Compound Name4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine
PubChem CID126695881
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine
SMILESCC(C)CN1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C17H25FN4O/c1-11(2)9-22-5-3-12(4-6-22)10-23-13-7-14(18)16-15(8-13)20-21-17(16)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H3,19,20,21)
InChIKeyMWBIFKRMKZAVIX-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine?
The IUPAC name of 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine (CID 126695881) is 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine.
What is the SMILES notation for 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine?
The canonical SMILES for 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine is CC(C)CN1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1.
What is the InChIKey of 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine?
The InChIKey is MWBIFKRMKZAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-11(2)9-22-5-3-12(4-6-22)10-23-13-7-14(18)16-15(8-13)20-21-17(16)19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H3,19,20,21).
What are the key properties of 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine?
4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine has a molecular weight of 320.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-1H-indazol-3-amine is sourced from PubChem (CID 126695881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).