N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide

C24H19F3N4O4 — CID 121078948

IUPACN-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccc(C(F)(F)F)c2)n(C2CC2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H19F3N4O4/c25-24(26,27)15-5-3-4-14(12-15)21-29-30(23(34)31(21)16-8-9-16)11-10-28-22(33)20-13-18(32)17-6-1-2-7-19(17)35-20/h1-7,12-13,16H,8-11H2,(H,28,33)
InChIKeyVMOWVENWWMBMOK-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide

N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide (PubChem CID 121078948) has the molecular formula C24H19F3N4O4 and a molecular weight of 484.43 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
PubChem CID121078948
Molecular FormulaC24H19F3N4O4
Molecular Weight484.43 g/mol
Exact Mass484.14
IUPAC NameN-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1nc(-c2cccc(C(F)(F)F)c2)n(C2CC2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H19F3N4O4/c25-24(26,27)15-5-3-4-14(12-15)21-29-30(23(34)31(21)16-8-9-16)11-10-28-22(33)20-13-18(32)17-6-1-2-7-19(17)35-20/h1-7,12-13,16H,8-11H2,(H,28,33)
InChIKeyVMOWVENWWMBMOK-UHFFFAOYSA-N
XLogP3.60
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide (CID 121078948) is N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide is O=C(NCCn1nc(-c2cccc(C(F)(F)F)c2)n(C2CC2)c1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is VMOWVENWWMBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4/c25-24(26,27)15-5-3-4-14(12-15)21-29-30(23(34)31(21)16-8-9-16)11-10-28-22(33)20-13-18(32)17-6-1-2-7-19(17)35-20/h1-7,12-13,16H,8-11H2,(H,28,33).
What are the key properties of N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 121078948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).