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

C22H19F3N6O — CID 67959681

IUPAC3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole
SMILESFC(F)(F)c1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@@H]5CCCNC5)n4)c3c2)n1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)19-5-1-4-16(28-19)13-6-7-17-15(9-13)21(31-30-17)18-11-27-12-20(29-18)32-14-3-2-8-26-10-14/h1,4-7,9,11-12,14,26H,2-3,8,10H2,(H,30,31)/t14-/m1/s1
InChIKeyZHNGMQYHAAVIAI-CQSZACIVSA-N
MW440.43 g/mol
LogP4.23
Rot. Bonds4

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

3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole (PubChem CID 67959681) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole
PubChem CID67959681
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole
SMILESFC(F)(F)c1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@@H]5CCCNC5)n4)c3c2)n1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)19-5-1-4-16(28-19)13-6-7-17-15(9-13)21(31-30-17)18-11-27-12-20(29-18)32-14-3-2-8-26-10-14/h1,4-7,9,11-12,14,26H,2-3,8,10H2,(H,30,31)/t14-/m1/s1
InChIKeyZHNGMQYHAAVIAI-CQSZACIVSA-N
XLogP4.23
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole?
The IUPAC name of 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole (CID 67959681) is 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole.
What is the SMILES notation for 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole?
The canonical SMILES for 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole is FC(F)(F)c1cccc(-c2ccc3[nH]nc(-c4cncc(O[C@@H]5CCCNC5)n4)c3c2)n1.
What is the InChIKey of 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole?
The InChIKey is ZHNGMQYHAAVIAI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F3N6O/c23-22(24,25)19-5-1-4-16(28-19)13-6-7-17-15(9-13)21(31-30-17)18-11-27-12-20(29-18)32-14-3-2-8-26-10-14/h1,4-7,9,11-12,14,26H,2-3,8,10H2,(H,30,31)/t14-/m1/s1.
What are the key properties of 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole?
3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole has a molecular weight of 440.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1H-indazole is sourced from PubChem (CID 67959681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).