4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide

C25H19ClF4N6O4 — CID 135205033

IUPAC4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide
SMILESCOc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)
InChIKeySNUMNATTXKTJQD-UHFFFAOYSA-N
MW578.91 g/mol
LogP4.21
Rot. Bonds7

About 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide

4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide (PubChem CID 135205033) has the molecular formula C25H19ClF4N6O4 and a molecular weight of 578.91 g/mol. Its IUPAC name is 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide
PubChem CID135205033
Molecular FormulaC25H19ClF4N6O4
Molecular Weight578.91 g/mol
Exact Mass578.11
IUPAC Name4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide
SMILESCOc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39)
InChIKeySNUMNATTXKTJQD-UHFFFAOYSA-N
XLogP4.21
TPSA134.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.91
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide 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 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide?
The IUPAC name of 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide (CID 135205033) is 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide.
What is the SMILES notation for 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide?
The canonical SMILES for 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide is COc1cn(C(C)C(=O)Nc2ccc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.
What is the InChIKey of 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide?
The InChIKey is SNUMNATTXKTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF4N6O4/c1-12(24(39)32-14-4-5-15(23(31)38)18(27)8-14)35-10-20(40-2)17(9-22(35)37)16-7-13(26)3-6-19(16)36-11-21(33-34-36)25(28,29)30/h3-12H,1-2H3,(H2,31,38)(H,32,39).
What are the key properties of 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide?
4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide has a molecular weight of 578.91 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]propanoylamino]-2-fluorobenzamide is sourced from PubChem (CID 135205033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).