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

C17H18FN5O — CID 162659271

IUPAC5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12
InChIInChI=1S/C17H18FN5O/c1-10-12-6-11(2-3-14(12)23-22-10)15-8-20-9-17(21-15)24-16-4-5-19-7-13(16)18/h2-3,6,8-9,13,16,19H,4-5,7H2,1H3,(H,22,23)/t13-,16-/m0/s1
InChIKeyHTCIBTAIOFZTOM-BBRMVZONSA-N
MW327.36 g/mol
LogP2.41
Rot. Bonds3

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

5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole (PubChem CID 162659271) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
PubChem CID162659271
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12
InChIInChI=1S/C17H18FN5O/c1-10-12-6-11(2-3-14(12)23-22-10)15-8-20-9-17(21-15)24-16-4-5-19-7-13(16)18/h2-3,6,8-9,13,16,19H,4-5,7H2,1H3,(H,22,23)/t13-,16-/m0/s1
InChIKeyHTCIBTAIOFZTOM-BBRMVZONSA-N
XLogP2.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The IUPAC name of 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole (CID 162659271) is 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole.
What is the SMILES notation for 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The canonical SMILES for 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole is Cc1[nH]nc2ccc(-c3cncc(O[C@H]4CCNC[C@@H]4F)n3)cc12.
What is the InChIKey of 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
The InChIKey is HTCIBTAIOFZTOM-BBRMVZONSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-10-12-6-11(2-3-14(12)23-22-10)15-8-20-9-17(21-15)24-16-4-5-19-7-13(16)18/h2-3,6,8-9,13,16,19H,4-5,7H2,1H3,(H,22,23)/t13-,16-/m0/s1.
What are the key properties of 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole?
5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole has a molecular weight of 327.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]-3-methyl-2H-indazole is sourced from PubChem (CID 162659271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).