(1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate

C24H25FN6O3 — CID 146463365

About (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate

(1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate (PubChem CID 146463365) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate.

Molecular Properties

• Compound Name: (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
• PubChem CID: 146463365
• Molecular Formula: C24H25FN6O3
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.20
• IUPAC Name: (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
• SMILES: CC(=O)N1CC(OC(=O)Nc2cc3cc(-c4cnc5c(c4C)NCCC5)c(F)c(N)c3cn2)C1
• InChI: InChI=1S/C24H25FN6O3/c1-12-17(8-28-19-4-3-5-27-23(12)19)16-6-14-7-20(29-9-18(14)22(26)21(16)25)30-24(33)34-15-10-31(11-15)13(2)32/h6-9,15,27H,3-5,10-11,26H2,1-2H3,(H,29,30,33)
• InChIKey: IZNQVGKXVBEZNI-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 122.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.50
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?

The IUPAC name of (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate (CID 146463365) is (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate.

What is the SMILES notation for (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?

The canonical SMILES for (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate is CC(=O)N1CC(OC(=O)Nc2cc3cc(-c4cnc5c(c4C)NCCC5)c(F)c(N)c3cn2)C1.

What is the InChIKey of (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?

The InChIKey is IZNQVGKXVBEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-12-17(8-28-19-4-3-5-27-23(12)19)16-6-14-7-20(29-9-18(14)22(26)21(16)25)30-24(33)34-15-10-31(11-15)13(2)32/h6-9,15,27H,3-5,10-11,26H2,1-2H3,(H,29,30,33).

What are the key properties of (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?

(1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate has a molecular weight of 464.50 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-acetylazetidin-3-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate is sourced from PubChem (CID 146463365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).