5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole

C23H22FN5O2 — CID 67959917

IUPAC5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@@H]5CCCNC5)n4)c3c2)c1F
InChIInChI=1S/C23H22FN5O2/c1-30-20-6-2-5-16(22(20)24)14-7-8-18-17(10-14)23(29-28-18)19-12-26-13-21(27-19)31-15-4-3-9-25-11-15/h2,5-8,10,12-13,15,25H,3-4,9,11H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyGGLBYFWSOBRGGZ-OAHLLOKOSA-N
MW419.46 g/mol
LogP3.97
Rot. Bonds5

About 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole

5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole (PubChem CID 67959917) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
PubChem CID67959917
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@@H]5CCCNC5)n4)c3c2)c1F
InChIInChI=1S/C23H22FN5O2/c1-30-20-6-2-5-16(22(20)24)14-7-8-18-17(10-14)23(29-28-18)19-12-26-13-21(27-19)31-15-4-3-9-25-11-15/h2,5-8,10,12-13,15,25H,3-4,9,11H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyGGLBYFWSOBRGGZ-OAHLLOKOSA-N
XLogP3.97
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole?
The IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole (CID 67959917) is 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole.
What is the SMILES notation for 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole?
The canonical SMILES for 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole is COc1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@@H]5CCCNC5)n4)c3c2)c1F.
What is the InChIKey of 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole?
The InChIKey is GGLBYFWSOBRGGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-30-20-6-2-5-16(22(20)24)14-7-8-18-17(10-14)23(29-28-18)19-12-26-13-21(27-19)31-15-4-3-9-25-11-15/h2,5-8,10,12-13,15,25H,3-4,9,11H2,1H3,(H,28,29)/t15-/m1/s1.
What are the key properties of 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole?
5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole has a molecular weight of 419.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methoxyphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole is sourced from PubChem (CID 67959917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).