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

C23H19F2N5O — CID 118725601

IUPAC5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
SMILESC=C1CCNCC1Oc1cncc(-c2n[nH]c3ccc(-c4c(F)cccc4F)cc23)n1
InChIInChI=1S/C23H19F2N5O/c1-13-7-8-26-11-20(13)31-21-12-27-10-19(28-21)23-15-9-14(5-6-18(15)29-30-23)22-16(24)3-2-4-17(22)25/h2-6,9-10,12,20,26H,1,7-8,11H2,(H,29,30)
InChIKeySTWDLMHONRHMTF-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.26
Rot. Bonds4

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

5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole (PubChem CID 118725601) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
PubChem CID118725601
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
SMILESC=C1CCNCC1Oc1cncc(-c2n[nH]c3ccc(-c4c(F)cccc4F)cc23)n1
InChIInChI=1S/C23H19F2N5O/c1-13-7-8-26-11-20(13)31-21-12-27-10-19(28-21)23-15-9-14(5-6-18(15)29-30-23)22-16(24)3-2-4-17(22)25/h2-6,9-10,12,20,26H,1,7-8,11H2,(H,29,30)
InChIKeySTWDLMHONRHMTF-UHFFFAOYSA-N
XLogP4.26
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole (CID 118725601) is 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole is C=C1CCNCC1Oc1cncc(-c2n[nH]c3ccc(-c4c(F)cccc4F)cc23)n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
The InChIKey is STWDLMHONRHMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c1-13-7-8-26-11-20(13)31-21-12-27-10-19(28-21)23-15-9-14(5-6-18(15)29-30-23)22-16(24)3-2-4-17(22)25/h2-6,9-10,12,20,26H,1,7-8,11H2,(H,29,30).
What are the key properties of 5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole?
5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole has a molecular weight of 419.44 g/mol, XLogP of 4.26, 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-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole is sourced from PubChem (CID 118725601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).