6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C21H21F3N6S — CID 118239451

IUPAC6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C21H21F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29)
InChIKeyMMUCDXXXGYEFAK-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.08
Rot. Bonds4

About 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 118239451) has the molecular formula C21H21F3N6S and a molecular weight of 446.50 g/mol. Its IUPAC name is 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID118239451
Molecular FormulaC21H21F3N6S
Molecular Weight446.50 g/mol
Exact Mass446.15
IUPAC Name6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C21H21F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29)
InChIKeyMMUCDXXXGYEFAK-UHFFFAOYSA-N
XLogP4.08
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 118239451) is 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is Nc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F.
What is the InChIKey of 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is MMUCDXXXGYEFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29).
What are the key properties of 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 446.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 118239451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).