2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid

C24H33F3N6O5 — CID 10325057

IUPAC2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OC1CCN(C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H32N6O3.C2HF3O2/c1-17-16-23-10-13-28(17)20-22(26-9-8-24-20)30-15-14-29-19-4-3-7-25-21(19)31-18-5-11-27(2)12-6-18;3-2(4,5)1(6)7/h3-4,7-9,17-18,23H,5-6,10-16H2,1-2H3;(H,6,7)/t17-;/m1./s1
InChIKeyPRAPWILSLKUYDX-UNTBIKODSA-N
MW542.56 g/mol
LogP2.23
Rot. Bonds8

About 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid

2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 10325057) has the molecular formula C24H33F3N6O5 and a molecular weight of 542.56 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID10325057
Molecular FormulaC24H33F3N6O5
Molecular Weight542.56 g/mol
Exact Mass542.25
IUPAC Name2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OC1CCN(C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H32N6O3.C2HF3O2/c1-17-16-23-10-13-28(17)20-22(26-9-8-24-20)30-15-14-29-19-4-3-7-25-21(19)31-18-5-11-27(2)12-6-18;3-2(4,5)1(6)7/h3-4,7-9,17-18,23H,5-6,10-16H2,1-2H3;(H,6,7)/t17-;/m1./s1
InChIKeyPRAPWILSLKUYDX-UNTBIKODSA-N
XLogP2.23
TPSA122.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.56
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid (CID 10325057) is 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid is C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OC1CCN(C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is PRAPWILSLKUYDX-UNTBIKODSA-N. The full InChI is InChI=1S/C22H32N6O3.C2HF3O2/c1-17-16-23-10-13-28(17)20-22(26-9-8-24-20)30-15-14-29-19-4-3-7-25-21(19)31-18-5-11-27(2)12-6-18;3-2(4,5)1(6)7/h3-4,7-9,17-18,23H,5-6,10-16H2,1-2H3;(H,6,7)/t17-;/m1./s1.
What are the key properties of 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid?
2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 542.56 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]oxy]ethoxy]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 10325057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).