5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole

C17H17F2N5O — CID 162660929

IUPAC5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cncc(O[C@H]4CCNCC4(F)F)n3)cc12
InChIInChI=1S/C17H17F2N5O/c1-10-12-6-11(2-3-13(12)24-23-10)14-7-21-8-16(22-14)25-15-4-5-20-9-17(15,18)19/h2-3,6-8,15,20H,4-5,9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyZISKWUPNETZBPR-HNNXBMFYSA-N
MW345.35 g/mol
LogP2.70
Rot. Bonds3

About 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole

5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole (PubChem CID 162660929) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
PubChem CID162660929
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cncc(O[C@H]4CCNCC4(F)F)n3)cc12
InChIInChI=1S/C17H17F2N5O/c1-10-12-6-11(2-3-13(12)24-23-10)14-7-21-8-16(22-14)25-15-4-5-20-9-17(15,18)19/h2-3,6-8,15,20H,4-5,9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyZISKWUPNETZBPR-HNNXBMFYSA-N
XLogP2.70
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The IUPAC name of 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole (CID 162660929) is 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole.
What is the SMILES notation for 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The canonical SMILES for 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole is Cc1[nH]nc2ccc(-c3cncc(O[C@H]4CCNCC4(F)F)n3)cc12.
What is the InChIKey of 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The InChIKey is ZISKWUPNETZBPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-10-12-6-11(2-3-13(12)24-23-10)14-7-21-8-16(22-14)25-15-4-5-20-9-17(15,18)19/h2-3,6-8,15,20H,4-5,9H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole has a molecular weight of 345.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4S)-3,3-difluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole is sourced from PubChem (CID 162660929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).