1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

C22H17F8N5O4 — CID 163992922

About 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 163992922) has the molecular formula C22H17F8N5O4 and a molecular weight of 567.39 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 163992922
• Molecular Formula: C22H17F8N5O4
• Molecular Weight: 567.39 g/mol
• Exact Mass: 567.12
• IUPAC Name: 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC(CC(F)(F)F)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(N3CC(O)[C@H](O)C3)ccc2c1=O
• InChI: InChI=1S/C22H17F8N5O4/c23-9-3-12(24)19(31-5-9)35-6-11(20(39)32-15(22(28,29)30)4-21(25,26)27)17(38)10-1-2-16(33-18(10)35)34-7-13(36)14(37)8-34/h1-3,5-6,13-15,36-37H,4,7-8H2,(H,32,39)/t13-,14?,15?/m1/s1
• InChIKey: UCFSTCPWZDWCJI-WLYUNCDWSA-N
• XLogP: 2.21
• TPSA: 120.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.39
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 163992922) is 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC(CC(F)(F)F)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(N3CC(O)[C@H](O)C3)ccc2c1=O.

What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is UCFSTCPWZDWCJI-WLYUNCDWSA-N. The full InChI is InChI=1S/C22H17F8N5O4/c23-9-3-12(24)19(31-5-9)35-6-11(20(39)32-15(22(28,29)30)4-21(25,26)27)17(38)10-1-2-16(33-18(10)35)34-7-13(36)14(37)8-34/h1-3,5-6,13-15,36-37H,4,7-8H2,(H,32,39)/t13-,14?,15?/m1/s1.

What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 567.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 163992922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).