2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide

C26H30FN7O — CID 55867266

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)c2C)n1
InChIInChI=1S/C26H30FN7O/c1-16-13-17(2)29-26(28-16)34-19(4)23(18(3)32-34)15-25(35)33(5)12-6-7-22-14-24(31-30-22)20-8-10-21(27)11-9-20/h8-11,13-14H,6-7,12,15H2,1-5H3,(H,30,31)
InChIKeyMAPVNIJEJKTYNC-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.06
Rot. Bonds8

About 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide (PubChem CID 55867266) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide
PubChem CID55867266
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)c2C)n1
InChIInChI=1S/C26H30FN7O/c1-16-13-17(2)29-26(28-16)34-19(4)23(18(3)32-34)15-25(35)33(5)12-6-7-22-14-24(31-30-22)20-8-10-21(27)11-9-20/h8-11,13-14H,6-7,12,15H2,1-5H3,(H,30,31)
InChIKeyMAPVNIJEJKTYNC-UHFFFAOYSA-N
XLogP4.06
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide (CID 55867266) is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide is Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)c2C)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?
The InChIKey is MAPVNIJEJKTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-16-13-17(2)29-26(28-16)34-19(4)23(18(3)32-34)15-25(35)33(5)12-6-7-22-14-24(31-30-22)20-8-10-21(27)11-9-20/h8-11,13-14H,6-7,12,15H2,1-5H3,(H,30,31).
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide has a molecular weight of 475.57 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylacetamide is sourced from PubChem (CID 55867266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).