5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole

C24H23F2N5O — CID 118725602

IUPAC5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
SMILESCC1(C)CCNCC1Oc1cncc(-c2n[nH]c3ccc(-c4c(F)cccc4F)cc23)n1
InChIInChI=1S/C24H23F2N5O/c1-24(2)8-9-27-12-20(24)32-21-13-28-11-19(29-21)23-15-10-14(6-7-18(15)30-31-23)22-16(25)4-3-5-17(22)26/h3-7,10-11,13,20,27H,8-9,12H2,1-2H3,(H,30,31)
InChIKeyKUFLSJFOFGKCHC-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.73
Rot. Bonds4

About 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole

5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole (PubChem CID 118725602) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
PubChem CID118725602
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
SMILESCC1(C)CCNCC1Oc1cncc(-c2n[nH]c3ccc(-c4c(F)cccc4F)cc23)n1
InChIInChI=1S/C24H23F2N5O/c1-24(2)8-9-27-12-20(24)32-21-13-28-11-19(29-21)23-15-10-14(6-7-18(15)30-31-23)22-16(25)4-3-5-17(22)26/h3-7,10-11,13,20,27H,8-9,12H2,1-2H3,(H,30,31)
InChIKeyKUFLSJFOFGKCHC-UHFFFAOYSA-N
XLogP4.73
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole (CID 118725602) is 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole is CC1(C)CCNCC1Oc1cncc(-c2n[nH]c3ccc(-c4c(F)cccc4F)cc23)n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
The InChIKey is KUFLSJFOFGKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-24(2)8-9-27-12-20(24)32-21-13-28-11-19(29-21)23-15-10-14(6-7-18(15)30-31-23)22-16(25)4-3-5-17(22)26/h3-7,10-11,13,20,27H,8-9,12H2,1-2H3,(H,30,31).
What are the key properties of 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole has a molecular weight of 435.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole is sourced from PubChem (CID 118725602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).