5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole

C23H20F2N4O — CID 67959860

IUPAC5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1
InChIInChI=1S/C23H20F2N4O/c24-18-4-1-5-19(25)23(18)14-6-7-20-16(9-14)17(11-28-20)21-12-27-13-22(29-21)30-15-3-2-8-26-10-15/h1,4-7,9,11-13,15,26,28H,2-3,8,10H2/t15-/m1/s1
InChIKeyBRKURFKMANNMOY-OAHLLOKOSA-N
MW406.44 g/mol
LogP4.70
Rot. Bonds4

About 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole

5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole (PubChem CID 67959860) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole
PubChem CID67959860
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1
InChIInChI=1S/C23H20F2N4O/c24-18-4-1-5-19(25)23(18)14-6-7-20-16(9-14)17(11-28-20)21-12-27-13-22(29-21)30-15-3-2-8-26-10-15/h1,4-7,9,11-13,15,26,28H,2-3,8,10H2/t15-/m1/s1
InChIKeyBRKURFKMANNMOY-OAHLLOKOSA-N
XLogP4.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole (CID 67959860) is 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole is Fc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole?
The InChIKey is BRKURFKMANNMOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20F2N4O/c24-18-4-1-5-19(25)23(18)14-6-7-20-16(9-14)17(11-28-20)21-12-27-13-22(29-21)30-15-3-2-8-26-10-15/h1,4-7,9,11-13,15,26,28H,2-3,8,10H2/t15-/m1/s1.
What are the key properties of 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole?
5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole has a molecular weight of 406.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole is sourced from PubChem (CID 67959860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).