2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol

C25H29F3N6O2 — CID 59191469

IUPAC2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
SMILESCOc1ccc(-c2nnc(N3CCN(c4ncc(C(C)(C)O)c(C(F)(F)F)n4)CC3)c(C)c2C)cc1
InChIInChI=1S/C25H29F3N6O2/c1-15-16(2)22(32-31-20(15)17-6-8-18(36-5)9-7-17)33-10-12-34(13-11-33)23-29-14-19(24(3,4)35)21(30-23)25(26,27)28/h6-9,14,35H,10-13H2,1-5H3
InChIKeyHOWUQANRKNHXOD-UHFFFAOYSA-N
MW502.54 g/mol
LogP4.13
Rot. Bonds5

About 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol

2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol (PubChem CID 59191469) has the molecular formula C25H29F3N6O2 and a molecular weight of 502.54 g/mol. Its IUPAC name is 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
PubChem CID59191469
Molecular FormulaC25H29F3N6O2
Molecular Weight502.54 g/mol
Exact Mass502.23
IUPAC Name2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol
SMILESCOc1ccc(-c2nnc(N3CCN(c4ncc(C(C)(C)O)c(C(F)(F)F)n4)CC3)c(C)c2C)cc1
InChIInChI=1S/C25H29F3N6O2/c1-15-16(2)22(32-31-20(15)17-6-8-18(36-5)9-7-17)33-10-12-34(13-11-33)23-29-14-19(24(3,4)35)21(30-23)25(26,27)28/h6-9,14,35H,10-13H2,1-5H3
InChIKeyHOWUQANRKNHXOD-UHFFFAOYSA-N
XLogP4.13
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol 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-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol (CID 59191469) is 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol is COc1ccc(-c2nnc(N3CCN(c4ncc(C(C)(C)O)c(C(F)(F)F)n4)CC3)c(C)c2C)cc1.
What is the InChIKey of 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
The InChIKey is HOWUQANRKNHXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O2/c1-15-16(2)22(32-31-20(15)17-6-8-18(36-5)9-7-17)33-10-12-34(13-11-33)23-29-14-19(24(3,4)35)21(30-23)25(26,27)28/h6-9,14,35H,10-13H2,1-5H3.
What are the key properties of 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol?
2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol has a molecular weight of 502.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 59191469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).