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

C16H21F3N4O — CID 126695882

IUPAC6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine
SMILESCC(C(F)F)N1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C16H21F3N4O/c1-9(15(18)19)23-4-2-10(3-5-23)8-24-11-6-12(17)14-13(7-11)21-22-16(14)20/h6-7,9-10,15H,2-5,8H2,1H3,(H3,20,21,22)
InChIKeyJUGGDUSVYJZHDR-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.03
Rot. Bonds5

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

6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine (PubChem CID 126695882) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine
PubChem CID126695882
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine
SMILESCC(C(F)F)N1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1
InChIInChI=1S/C16H21F3N4O/c1-9(15(18)19)23-4-2-10(3-5-23)8-24-11-6-12(17)14-13(7-11)21-22-16(14)20/h6-7,9-10,15H,2-5,8H2,1H3,(H3,20,21,22)
InChIKeyJUGGDUSVYJZHDR-UHFFFAOYSA-N
XLogP3.03
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine?
The IUPAC name of 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine (CID 126695882) is 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine.
What is the SMILES notation for 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine?
The canonical SMILES for 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine is CC(C(F)F)N1CCC(COc2cc(F)c3c(N)n[nH]c3c2)CC1.
What is the InChIKey of 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine?
The InChIKey is JUGGDUSVYJZHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-9(15(18)19)23-4-2-10(3-5-23)8-24-11-6-12(17)14-13(7-11)21-22-16(14)20/h6-7,9-10,15H,2-5,8H2,1H3,(H3,20,21,22).
What are the key properties of 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine?
6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine has a molecular weight of 342.37 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 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 126695882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).