6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

C26H28F3N5O2 — CID 169271345

IUPAC6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(Cc3cc(-c4cccc(O)c4)cc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C26H28F3N5O2/c1-2-8-30-25(36)23-6-7-24(32-31-23)34-11-9-33(10-12-34)17-18-13-20(15-21(14-18)26(27,28)29)19-4-3-5-22(35)16-19/h3-7,13-16,35H,2,8-12,17H2,1H3,(H,30,36)
InChIKeyRIZBNTWHPCVGKX-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.33
Rot. Bonds7

About 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (PubChem CID 169271345) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
PubChem CID169271345
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC Name6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(Cc3cc(-c4cccc(O)c4)cc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C26H28F3N5O2/c1-2-8-30-25(36)23-6-7-24(32-31-23)34-11-9-33(10-12-34)17-18-13-20(15-21(14-18)26(27,28)29)19-4-3-5-22(35)16-19/h3-7,13-16,35H,2,8-12,17H2,1H3,(H,30,36)
InChIKeyRIZBNTWHPCVGKX-UHFFFAOYSA-N
XLogP4.33
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169272158
6-[4-[[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169272991
6-[4-[[3-ethoxy-5-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 178064460
6-[4-[[4-(3-hydroxyphenyl)-2-methoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169273156
N-(1-adamantylmethylsulfonyl)-6-[4-[[3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169271139
6-[4-[[3-ethoxy-5-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide
CID 169272691
6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169270921
6-[4-[[4-(3-ethoxyphenyl)-3-methylphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169271667
N-(1-adamantylmethylsulfonyl)-6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169271158
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
6-[4-[[3-(3-ethoxyphenyl)-5-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
CID 169271222
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109268

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (CID 169271345) is 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(Cc3cc(-c4cccc(O)c4)cc(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The InChIKey is RIZBNTWHPCVGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-2-8-30-25(36)23-6-7-24(32-31-23)34-11-9-33(10-12-34)17-18-13-20(15-21(14-18)26(27,28)29)19-4-3-5-22(35)16-19/h3-7,13-16,35H,2,8-12,17H2,1H3,(H,30,36).
What are the key properties of 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 169271345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).