6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide

C26H20FN5O2 — CID 118556632

About 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide

6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide (PubChem CID 118556632) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
• PubChem CID: 118556632
• Molecular Formula: C26H20FN5O2
• Molecular Weight: 453.48 g/mol
• Exact Mass: 453.16
• IUPAC Name: 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
• SMILES: CC(C)=Cn1nc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c2ccc(F)cc21
• InChI: InChI=1S/C26H20FN5O2/c1-15(2)14-32-22-13-17(27)9-12-21(22)24(31-32)26(34)28-18-10-7-16(8-11-18)23-19-5-3-4-6-20(19)25(33)30-29-23/h3-14H,1-2H3,(H,28,34)(H,30,33)
• InChIKey: CZUQUXTUBJMXEG-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.48
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?

The IUPAC name of 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide (CID 118556632) is 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide.

What is the SMILES notation for 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?

The canonical SMILES for 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide is CC(C)=Cn1nc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c2ccc(F)cc21.

What is the InChIKey of 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?

The InChIKey is CZUQUXTUBJMXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2/c1-15(2)14-32-22-13-17(27)9-12-21(22)24(31-32)26(34)28-18-10-7-16(8-11-18)23-19-5-3-4-6-20(19)25(33)30-29-23/h3-14H,1-2H3,(H,28,34)(H,30,33).

What are the key properties of 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?

6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 118556632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).