1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide

C27H25N5O4 — CID 90299261

About 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide

1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide (PubChem CID 90299261) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
• PubChem CID: 90299261
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
• SMILES: COc1ccc2c(-c3ccc(NC(=O)c4nn(CC(C)(C)O)c5ccccc45)cc3)n[nH]c(=O)c2c1
• InChI: InChI=1S/C27H25N5O4/c1-27(2,35)15-32-22-7-5-4-6-20(22)24(31-32)26(34)28-17-10-8-16(9-11-17)23-19-13-12-18(36-3)14-21(19)25(33)30-29-23/h4-14,35H,15H2,1-3H3,(H,28,34)(H,30,33)
• InChIKey: BTOLGKXWJYUUMZ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 122.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide (CID 90299261) is 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide.

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

The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide is COc1ccc2c(-c3ccc(NC(=O)c4nn(CC(C)(C)O)c5ccccc45)cc3)n[nH]c(=O)c2c1.

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

The InChIKey is BTOLGKXWJYUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-27(2,35)15-32-22-7-5-4-6-20(22)24(31-32)26(34)28-17-10-8-16(9-11-17)23-19-13-12-18(36-3)14-21(19)25(33)30-29-23/h4-14,35H,15H2,1-3H3,(H,28,34)(H,30,33).

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

1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 90299261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).