N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid

C23H27F3N8O3 — CID 25150228

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N8O.C2HF3O2/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28;3-2(4,5)1(6)7/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30);(H,6,7)
InChIKeyMYXJUQFPNPQOCC-UHFFFAOYSA-N
MW520.52 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 25150228) has the molecular formula C23H27F3N8O3 and a molecular weight of 520.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID25150228
Molecular FormulaC23H27F3N8O3
Molecular Weight520.52 g/mol
Exact Mass520.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N8O.C2HF3O2/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28;3-2(4,5)1(6)7/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30);(H,6,7)
InChIKeyMYXJUQFPNPQOCC-UHFFFAOYSA-N
XLogP2.68
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;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

Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide
CID 25074004
Acetamide, N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxy-1-piperidinyl)-2-pyridinyl]-4-pyrimidinyl]-
CID 25074316
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138091
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25069603

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid (CID 25150228) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is MYXJUQFPNPQOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O.C2HF3O2/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28;3-2(4,5)1(6)7/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30);(H,6,7).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 520.52 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25150228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).