3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide

C26H24F3N7O3 — CID 58366504

IUPAC3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(N5CCOCC5)n4)ccc3C)nn2)c1
InChIInChI=1S/C26H24F3N7O3/c1-16-3-4-17(10-22(16)36-15-21(33-34-36)18-9-20(38-2)14-30-13-18)25(37)32-23-11-19(26(27,28)29)12-24(31-23)35-5-7-39-8-6-35/h3-4,9-15H,5-8H2,1-2H3,(H,31,32,37)
InChIKeyDVPHCPOUJZCYKB-UHFFFAOYSA-N
MW539.52 g/mol
LogP4.15
Rot. Bonds6

About 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide

3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 58366504) has the molecular formula C26H24F3N7O3 and a molecular weight of 539.52 g/mol. Its IUPAC name is 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID58366504
Molecular FormulaC26H24F3N7O3
Molecular Weight539.52 g/mol
Exact Mass539.19
IUPAC Name3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(N5CCOCC5)n4)ccc3C)nn2)c1
InChIInChI=1S/C26H24F3N7O3/c1-16-3-4-17(10-22(16)36-15-21(33-34-36)18-9-20(38-2)14-30-13-18)25(37)32-23-11-19(26(27,28)29)12-24(31-23)35-5-7-39-8-6-35/h3-4,9-15H,5-8H2,1-2H3,(H,31,32,37)
InChIKeyDVPHCPOUJZCYKB-UHFFFAOYSA-N
XLogP4.15
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 58366504) is 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide is COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(N5CCOCC5)n4)ccc3C)nn2)c1.
What is the InChIKey of 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is DVPHCPOUJZCYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O3/c1-16-3-4-17(10-22(16)36-15-21(33-34-36)18-9-20(38-2)14-30-13-18)25(37)32-23-11-19(26(27,28)29)12-24(31-23)35-5-7-39-8-6-35/h3-4,9-15H,5-8H2,1-2H3,(H,31,32,37).
What are the key properties of 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?
3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 539.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58366504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).