[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C22H20F3N5O2 — CID 71712054

IUPAC[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)18-6-5-15(11-27-18)19-20(26)28-12-17(29-19)13-1-3-14(4-2-13)21(32)30-9-7-16(31)8-10-30/h1-6,11-12,16,31H,7-10H2,(H2,26,28)
InChIKeyBFOZDYPVOAYCER-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.40
Rot. Bonds3

About [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 71712054) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID71712054
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)18-6-5-15(11-27-18)19-20(26)28-12-17(29-19)13-1-3-14(4-2-13)21(32)30-9-7-16(31)8-10-30/h1-6,11-12,16,31H,7-10H2,(H2,26,28)
InChIKeyBFOZDYPVOAYCER-UHFFFAOYSA-N
XLogP3.40
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 71712054) is [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is Nc1ncc(-c2ccc(C(=O)N3CCC(O)CC3)cc2)nc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BFOZDYPVOAYCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-22(24,25)18-6-5-15(11-27-18)19-20(26)28-12-17(29-19)13-1-3-14(4-2-13)21(32)30-9-7-16(31)8-10-30/h1-6,11-12,16,31H,7-10H2,(H2,26,28).
What are the key properties of [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 443.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).