fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid

C37H52F2N8O6 — CID 142419043

About fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid

fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid (PubChem CID 142419043) has the molecular formula C37H52F2N8O6 and a molecular weight of 742.87 g/mol. Its IUPAC name is fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid
• PubChem CID: 142419043
• Molecular Formula: C37H52F2N8O6
• Molecular Weight: 742.87 g/mol
• Exact Mass: 742.40
• IUPAC Name: fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid
• SMILES: O=C(CN1CC(F)(C(=O)NCCCCc2ccc3c(n2)NCCC3)C1)OF.O=C(O)CN1CCC(C(=O)NCCCCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C19H28N4O3.C18H24F2N4O3/c24-17(25)13-23-11-8-15(12-23)19(26)21-9-2-1-5-16-7-6-14-4-3-10-20-18(14)22-16;19-18(11-24(12-18)10-15(25)27-20)17(26)22-8-2-1-5-14-7-6-13-4-3-9-21-16(13)23-14/h6-7,15H,1-5,8-13H2,(H,20,22)(H,21,26)(H,24,25);6-7H,1-5,8-12H2,(H,21,23)(H,22,26)
• InChIKey: XQJGDOJCRJIMOH-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 178.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.87
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The IUPAC name of fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid (CID 142419043) is fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid.

What is the SMILES notation for fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The canonical SMILES for fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid is O=C(CN1CC(F)(C(=O)NCCCCc2ccc3c(n2)NCCC3)C1)OF.O=C(O)CN1CCC(C(=O)NCCCCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid?

The InChIKey is XQJGDOJCRJIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.C18H24F2N4O3/c24-17(25)13-23-11-8-15(12-23)19(26)21-9-2-1-5-16-7-6-14-4-3-10-20-18(14)22-16;19-18(11-24(12-18)10-15(25)27-20)17(26)22-8-2-1-5-14-7-6-13-4-3-9-21-16(13)23-14/h6-7,15H,1-5,8-13H2,(H,20,22)(H,21,26)(H,24,25);6-7H,1-5,8-12H2,(H,21,23)(H,22,26).

What are the key properties of fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid?

fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 742.87 g/mol, XLogP of 2.62, 16 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 142419043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).