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

C23H19FN4O4 — CID 121078601

IUPACN-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H19FN4O4/c24-15-7-5-14(6-8-15)21-26-27(23(31)28(21)16-9-10-16)12-11-25-22(30)20-13-18(29)17-3-1-2-4-19(17)32-20/h1-8,13,16H,9-12H2,(H,25,30)
InChIKeyWGDBSZNEVOGTGT-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.72
Rot. Bonds6

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

N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide (PubChem CID 121078601) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
PubChem CID121078601
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC NameN-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H19FN4O4/c24-15-7-5-14(6-8-15)21-26-27(23(31)28(21)16-9-10-16)12-11-25-22(30)20-13-18(29)17-3-1-2-4-19(17)32-20/h1-8,13,16H,9-12H2,(H,25,30)
InChIKeyWGDBSZNEVOGTGT-UHFFFAOYSA-N
XLogP2.72
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.72
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-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide (CID 121078601) is N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide is O=C(NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is WGDBSZNEVOGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c24-15-7-5-14(6-8-15)21-26-27(23(31)28(21)16-9-10-16)12-11-25-22(30)20-13-18(29)17-3-1-2-4-19(17)32-20/h1-8,13,16H,9-12H2,(H,25,30).
What are the key properties of N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
N-[2-[4-cyclopropyl-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 2.72, 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-3-(4-fluorophenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 121078601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).