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

C23H24FN5O3 — CID 146488295

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

(3-hydroxycyclobutyl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate (PubChem CID 146488295) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is (3-hydroxycyclobutyl) 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: (3-hydroxycyclobutyl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
• PubChem CID: 146488295
• Molecular Formula: C23H24FN5O3
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.19
• IUPAC Name: (3-hydroxycyclobutyl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
• SMILES: Cc1c(-c2cc3cc(NC(=O)OC4CC(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)32-14-7-13(30)8-14/h5-6,9-10,13-14,26,30H,2-4,7-8,25H2,1H3,(H,28,29,31)
• InChIKey: MZYAWCRLQBJFHO-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 122.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	4
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 (3-hydroxycyclobutyl) 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 (3-hydroxycyclobutyl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate (CID 146488295) is (3-hydroxycyclobutyl) 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 (3-hydroxycyclobutyl) 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 (3-hydroxycyclobutyl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)OC4CC(O)C4)ncc3c(N)c2F)cnc2c1NCCC2.

What is the InChIKey of (3-hydroxycyclobutyl) 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 MZYAWCRLQBJFHO-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)32-14-7-13(30)8-14/h5-6,9-10,13-14,26,30H,2-4,7-8,25H2,1H3,(H,28,29,31).

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

(3-hydroxycyclobutyl) 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 437.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxycyclobutyl) 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 146488295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).