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

C17H17F2N5O — CID 162668303

IUPAC6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2cc(F)c(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12
InChIInChI=1S/C17H17F2N5O/c1-9-10-4-11(12(18)5-14(10)24-23-9)15-7-21-8-17(22-15)25-16-2-3-20-6-13(16)19/h4-5,7-8,13,16,20H,2-3,6H2,1H3,(H,23,24)/t13-,16-/m0/s1
InChIKeyXTWFVGOTHAJRLW-BBRMVZONSA-N
MW345.35 g/mol
LogP2.55
Rot. Bonds3

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

6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole (PubChem CID 162668303) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole.

Molecular Properties

Compound Name6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
PubChem CID162668303
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2cc(F)c(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12
InChIInChI=1S/C17H17F2N5O/c1-9-10-4-11(12(18)5-14(10)24-23-9)15-7-21-8-17(22-15)25-16-2-3-20-6-13(16)19/h4-5,7-8,13,16,20H,2-3,6H2,1H3,(H,23,24)/t13-,16-/m0/s1
InChIKeyXTWFVGOTHAJRLW-BBRMVZONSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The IUPAC name of 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole (CID 162668303) is 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole.
What is the SMILES notation for 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The canonical SMILES for 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole is Cc1[nH]nc2cc(F)c(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12.
What is the InChIKey of 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The InChIKey is XTWFVGOTHAJRLW-BBRMVZONSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-9-10-4-11(12(18)5-14(10)24-23-9)15-7-21-8-17(22-15)25-16-2-3-20-6-13(16)19/h4-5,7-8,13,16,20H,2-3,6H2,1H3,(H,23,24)/t13-,16-/m0/s1.
What are the key properties of 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole has a molecular weight of 345.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole is sourced from PubChem (CID 162668303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).