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

C16H20F3N3O — CID 126695991

IUPAC6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole
SMILESCC(C(F)F)N1CCC(COc2cc(F)c3cn[nH]c3c2)CC1
InChIInChI=1S/C16H20F3N3O/c1-10(16(18)19)22-4-2-11(3-5-22)9-23-12-6-14(17)13-8-20-21-15(13)7-12/h6-8,10-11,16H,2-5,9H2,1H3,(H,20,21)
InChIKeyWDXPHSMSBKUCBQ-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.45
Rot. Bonds5

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

6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole (PubChem CID 126695991) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole.

Molecular Properties

Compound Name6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole
PubChem CID126695991
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole
SMILESCC(C(F)F)N1CCC(COc2cc(F)c3cn[nH]c3c2)CC1
InChIInChI=1S/C16H20F3N3O/c1-10(16(18)19)22-4-2-11(3-5-22)9-23-12-6-14(17)13-8-20-21-15(13)7-12/h6-8,10-11,16H,2-5,9H2,1H3,(H,20,21)
InChIKeyWDXPHSMSBKUCBQ-UHFFFAOYSA-N
XLogP3.45
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-indazole?
The IUPAC name of 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole (CID 126695991) is 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole.
What is the SMILES notation for 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole?
The canonical SMILES for 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole is CC(C(F)F)N1CCC(COc2cc(F)c3cn[nH]c3c2)CC1.
What is the InChIKey of 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole?
The InChIKey is WDXPHSMSBKUCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-10(16(18)19)22-4-2-11(3-5-22)9-23-12-6-14(17)13-8-20-21-15(13)7-12/h6-8,10-11,16H,2-5,9H2,1H3,(H,20,21).
What are the key properties of 6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole?
6-[[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]methoxy]-4-fluoro-1H-indazole has a molecular weight of 327.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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-indazole is sourced from PubChem (CID 126695991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).