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

C22H19F2N5O — CID 67959597

IUPAC5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1
InChIInChI=1S/C22H19F2N5O/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(29-28-18)19-11-26-12-20(27-19)30-14-3-2-8-25-10-14/h1,4-7,9,11-12,14,25H,2-3,8,10H2,(H,28,29)/t14-/m1/s1
InChIKeyLRZCLGRWOPGGBZ-CQSZACIVSA-N
MW407.42 g/mol
LogP4.10
Rot. Bonds4

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

5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole (PubChem CID 67959597) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
PubChem CID67959597
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Name5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
SMILESFc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1
InChIInChI=1S/C22H19F2N5O/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(29-28-18)19-11-26-12-20(27-19)30-14-3-2-8-25-10-14/h1,4-7,9,11-12,14,25H,2-3,8,10H2,(H,28,29)/t14-/m1/s1
InChIKeyLRZCLGRWOPGGBZ-CQSZACIVSA-N
XLogP4.10
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-indazole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole (CID 67959597) is 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole is Fc1cccc(F)c1-c1ccc2[nH]nc(-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-indazole?
The InChIKey is LRZCLGRWOPGGBZ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F2N5O/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(29-28-18)19-11-26-12-20(27-19)30-14-3-2-8-25-10-14/h1,4-7,9,11-12,14,25H,2-3,8,10H2,(H,28,29)/t14-/m1/s1.
What are the key properties of 5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole?
5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole has a molecular weight of 407.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-indazole is sourced from PubChem (CID 67959597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).