[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid

C23H24FN5O3 — CID 146465662

About [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid

[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid (PubChem CID 146465662) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid.

Molecular Properties

• Compound Name: [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid
• PubChem CID: 146465662
• Molecular Formula: C23H24FN5O3
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.19
• IUPAC Name: [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid
• SMILES: Cc1c(-c2cc3cc(N(C(=O)O)C4CC(O)C4)ncc3c(N)c2F)cnc2c1NCCC2
• InChI: InChI=1S/C23H24FN5O3/c1-11-16(9-27-18-3-2-4-26-22(11)18)15-5-12-6-19(28-10-17(12)21(25)20(15)24)29(23(31)32)13-7-14(30)8-13/h5-6,9-10,13-14,26,30H,2-4,7-8,25H2,1H3,(H,31,32)
• InChIKey: SREWTHSBWDDTAJ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 124.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid (CID 146465662) is [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid.

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

The canonical SMILES for [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid is Cc1c(-c2cc3cc(N(C(=O)O)C4CC(O)C4)ncc3c(N)c2F)cnc2c1NCCC2.

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

The InChIKey is SREWTHSBWDDTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-11-16(9-27-18-3-2-4-26-22(11)18)15-5-12-6-19(28-10-17(12)21(25)20(15)24)29(23(31)32)13-7-14(30)8-13/h5-6,9-10,13-14,26,30H,2-4,7-8,25H2,1H3,(H,31,32).

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

[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid has a molecular weight of 437.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-(3-hydroxycyclobutyl)carbamic acid is sourced from PubChem (CID 146465662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).