[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

C22H21FN4O2 — CID 90314131

IUPAC[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@H](O)C3)cc2F)cn1
InChIInChI=1S/C22H21FN4O2/c23-19-10-14(7-8-18(19)20-11-26-21(24)12-25-20)16-5-1-2-6-17(16)22(29)27-9-3-4-15(28)13-27/h1-2,5-8,10-12,15,28H,3-4,9,13H2,(H2,24,26)/t15-/m0/s1
InChIKeyNAZOFBBKHRHLHR-HNNXBMFYSA-N
MW392.43 g/mol
LogP3.13
Rot. Bonds3

About [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 90314131) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID90314131
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@H](O)C3)cc2F)cn1
InChIInChI=1S/C22H21FN4O2/c23-19-10-14(7-8-18(19)20-11-26-21(24)12-25-20)16-5-1-2-6-17(16)22(29)27-9-3-4-15(28)13-27/h1-2,5-8,10-12,15,28H,3-4,9,13H2,(H2,24,26)/t15-/m0/s1
InChIKeyNAZOFBBKHRHLHR-HNNXBMFYSA-N
XLogP3.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 90314131) is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCC[C@H](O)C3)cc2F)cn1.
What is the InChIKey of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is NAZOFBBKHRHLHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-19-10-14(7-8-18(19)20-11-26-21(24)12-25-20)16-5-1-2-6-17(16)22(29)27-9-3-4-15(28)13-27/h1-2,5-8,10-12,15,28H,3-4,9,13H2,(H2,24,26)/t15-/m0/s1.
What are the key properties of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 392.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 90314131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).