2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid

C26H24ClF3N6O2 — CID 127024650

IUPAC2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid
SMILESClc1cccc(CN2CCN(c3nc4cccnc4nc3Nc3ccccc3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23ClN6.C2HF3O2/c25-19-7-4-6-18(16-19)17-30-12-14-31(15-13-30)24-23(27-20-8-2-1-3-9-20)29-22-21(28-24)10-5-11-26-22;3-2(4,5)1(6)7/h1-11,16H,12-15,17H2,(H,26,27,29);(H,6,7)
InChIKeyAWAUBBIHOYYBAP-UHFFFAOYSA-N
MW544.97 g/mol
LogP5.38
Rot. Bonds5

About 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 127024650) has the molecular formula C26H24ClF3N6O2 and a molecular weight of 544.97 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID127024650
Molecular FormulaC26H24ClF3N6O2
Molecular Weight544.97 g/mol
Exact Mass544.16
IUPAC Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid
SMILESClc1cccc(CN2CCN(c3nc4cccnc4nc3Nc3ccccc3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23ClN6.C2HF3O2/c25-19-7-4-6-18(16-19)17-30-12-14-31(15-13-30)24-23(27-20-8-2-1-3-9-20)29-22-21(28-24)10-5-11-26-22;3-2(4,5)1(6)7/h1-11,16H,12-15,17H2,(H,26,27,29);(H,6,7)
InChIKeyAWAUBBIHOYYBAP-UHFFFAOYSA-N
XLogP5.38
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.97
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid 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 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid (CID 127024650) is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid is Clc1cccc(CN2CCN(c3nc4cccnc4nc3Nc3ccccc3)CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AWAUBBIHOYYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6.C2HF3O2/c25-19-7-4-6-18(16-19)17-30-12-14-31(15-13-30)24-23(27-20-8-2-1-3-9-20)29-22-21(28-24)10-5-11-26-22;3-2(4,5)1(6)7/h1-11,16H,12-15,17H2,(H,26,27,29);(H,6,7).
What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid?
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 544.97 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-phenylpyrido[2,3-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127024650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).