2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid

C25H24F6N6O6 — CID 156514081

IUPAC2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(N2CCN(C(=O)c3ccco3)CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23F3N6O4.C2HF3O2/c1-13-4-5-14(22(35,21(28)34)23(24,25)26)11-15(13)16-12-29-18(27)19(30-16)31-6-8-32(9-7-31)20(33)17-3-2-10-36-17;3-2(4,5)1(6)7/h2-5,10-12,35H,6-9H2,1H3,(H2,27,29)(H2,28,34);(H,6,7)
InChIKeyXZLIZZRVQPOWMD-UHFFFAOYSA-N
MW618.49 g/mol
LogP2.46
Rot. Bonds5

About 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid

2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid (PubChem CID 156514081) has the molecular formula C25H24F6N6O6 and a molecular weight of 618.49 g/mol. Its IUPAC name is 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid
PubChem CID156514081
Molecular FormulaC25H24F6N6O6
Molecular Weight618.49 g/mol
Exact Mass618.17
IUPAC Name2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(N2CCN(C(=O)c3ccco3)CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23F3N6O4.C2HF3O2/c1-13-4-5-14(22(35,21(28)34)23(24,25)26)11-15(13)16-12-29-18(27)19(30-16)31-6-8-32(9-7-31)20(33)17-3-2-10-36-17;3-2(4,5)1(6)7/h2-5,10-12,35H,6-9H2,1H3,(H2,27,29)(H2,28,34);(H,6,7)
InChIKeyXZLIZZRVQPOWMD-UHFFFAOYSA-N
XLogP2.46
TPSA189.11 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.49
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid (CID 156514081) is 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(N2CCN(C(=O)c3ccco3)CC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is XZLIZZRVQPOWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O4.C2HF3O2/c1-13-4-5-14(22(35,21(28)34)23(24,25)26)11-15(13)16-12-29-18(27)19(30-16)31-6-8-32(9-7-31)20(33)17-3-2-10-36-17;3-2(4,5)1(6)7/h2-5,10-12,35H,6-9H2,1H3,(H2,27,29)(H2,28,34);(H,6,7).
What are the key properties of 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid?
2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 618.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 156514081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).