5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole

C23H27F2N3O2 — CID 42611140

IUPAC5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(OCC3CCNCC3)cc21
InChIInChI=1S/C23H27F2N3O2/c1-15(2)13-28-20-11-22(29-14-16-5-7-26-8-6-16)23(9-17(20)12-27-28)30-21-4-3-18(24)10-19(21)25/h3-4,9-12,15-16,26H,5-8,13-14H2,1-2H3
InChIKeyQUFCAPHJJLALJA-UHFFFAOYSA-N
MW415.48 g/mol
LogP5.14
Rot. Bonds7

About 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole

5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole (PubChem CID 42611140) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole
PubChem CID42611140
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC Name5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole
SMILESCC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(OCC3CCNCC3)cc21
InChIInChI=1S/C23H27F2N3O2/c1-15(2)13-28-20-11-22(29-14-16-5-7-26-8-6-16)23(9-17(20)12-27-28)30-21-4-3-18(24)10-19(21)25/h3-4,9-12,15-16,26H,5-8,13-14H2,1-2H3
InChIKeyQUFCAPHJJLALJA-UHFFFAOYSA-N
XLogP5.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole?
The IUPAC name of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole (CID 42611140) is 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole?
The canonical SMILES for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole is CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(OCC3CCNCC3)cc21.
What is the InChIKey of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole?
The InChIKey is QUFCAPHJJLALJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-15(2)13-28-20-11-22(29-14-16-5-7-26-8-6-16)23(9-17(20)12-27-28)30-21-4-3-18(24)10-19(21)25/h3-4,9-12,15-16,26H,5-8,13-14H2,1-2H3.
What are the key properties of 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole?
5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole has a molecular weight of 415.48 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-6-(piperidin-4-ylmethoxy)indazole is sourced from PubChem (CID 42611140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).