4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C24H21F6N5O3 — CID 135354747

IUPAC4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O)C(F)(F)F
InChIInChI=1S/C24H21F6N5O3/c1-23(2,3)21(24(28,29)30)33-20(37)13-10-35(17-14(26)8-11(25)9-15(17)27)19-12(18(13)36)4-5-16(32-19)34-7-6-31-22(34)38/h4-5,8-10,21H,6-7H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyODHMWPYUGDLDOI-UHFFFAOYSA-N
MW541.45 g/mol
LogP4.04
Rot. Bonds4

About 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135354747) has the molecular formula C24H21F6N5O3 and a molecular weight of 541.45 g/mol. Its IUPAC name is 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID135354747
Molecular FormulaC24H21F6N5O3
Molecular Weight541.45 g/mol
Exact Mass541.15
IUPAC Name4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O)C(F)(F)F
InChIInChI=1S/C24H21F6N5O3/c1-23(2,3)21(24(28,29)30)33-20(37)13-10-35(17-14(26)8-11(25)9-15(17)27)19-12(18(13)36)4-5-16(32-19)34-7-6-31-22(34)38/h4-5,8-10,21H,6-7H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyODHMWPYUGDLDOI-UHFFFAOYSA-N
XLogP4.04
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 135354747) is 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CC(C)(C)C(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O)C(F)(F)F.
What is the InChIKey of 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is ODHMWPYUGDLDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N5O3/c1-23(2,3)21(24(28,29)30)33-20(37)13-10-35(17-14(26)8-11(25)9-15(17)27)19-12(18(13)36)4-5-16(32-19)34-7-6-31-22(34)38/h4-5,8-10,21H,6-7H2,1-3H3,(H,31,38)(H,33,37).
What are the key properties of 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 541.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-(2-oxoimidazolidin-1-yl)-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).