N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

C23H19F5N6O3 — CID 155236431

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 155236431) has the molecular formula C23H19F5N6O3 and a molecular weight of 522.43 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155236431
• Molecular Formula: C23H19F5N6O3
• Molecular Weight: 522.43 g/mol
• Exact Mass: 522.14
• IUPAC Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC1CN(c2ccc3c(=O)c(C(=O)NC(C4CC4)C(F)(F)F)cn(-c4ncc(F)cc4F)c3n2)C(=O)N1
• InChI: InChI=1S/C23H19F5N6O3/c1-10-8-33(22(37)30-10)16-5-4-13-17(35)14(21(36)32-18(11-2-3-11)23(26,27)28)9-34(19(13)31-16)20-15(25)6-12(24)7-29-20/h4-7,9-11,18H,2-3,8H2,1H3,(H,30,37)(H,32,36)
• InChIKey: BRRQWXXEOACCAN-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.43
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 155236431) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is CC1CN(c2ccc3c(=O)c(C(=O)NC(C4CC4)C(F)(F)F)cn(-c4ncc(F)cc4F)c3n2)C(=O)N1.

What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is BRRQWXXEOACCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N6O3/c1-10-8-33(22(37)30-10)16-5-4-13-17(35)14(21(36)32-18(11-2-3-11)23(26,27)28)9-34(19(13)31-16)20-15(25)6-12(24)7-29-20/h4-7,9-11,18H,2-3,8H2,1H3,(H,30,37)(H,32,36).

What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 522.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1-(3,5-difluoro-2-pyridinyl)-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155236431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).