4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

C25H22F3N5O — CID 155552522

IUPAC4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(-c2ccn(C)n2)c1
InChIInChI=1S/C25H22F3N5O/c1-16-6-7-18(24(34)31-21-5-3-4-20(12-21)25(26,27)28)11-23(16)30-14-17-10-19(15-29-13-17)22-8-9-33(2)32-22/h3-13,15,30H,14H2,1-2H3,(H,31,34)
InChIKeyISFMOWLMGGXLTK-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.67
Rot. Bonds6

About 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155552522) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155552522
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(-c2ccn(C)n2)c1
InChIInChI=1S/C25H22F3N5O/c1-16-6-7-18(24(34)31-21-5-3-4-20(12-21)25(26,27)28)11-23(16)30-14-17-10-19(15-29-13-17)22-8-9-33(2)32-22/h3-13,15,30H,14H2,1-2H3,(H,31,34)
InChIKeyISFMOWLMGGXLTK-UHFFFAOYSA-N
XLogP5.67
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155552522) is 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(-c2ccn(C)n2)c1.
What is the InChIKey of 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ISFMOWLMGGXLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-16-6-7-18(24(34)31-21-5-3-4-20(12-21)25(26,27)28)11-23(16)30-14-17-10-19(15-29-13-17)22-8-9-33(2)32-22/h3-13,15,30H,14H2,1-2H3,(H,31,34).
What are the key properties of 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 465.48 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155552522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).