N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C27H25N3O3 — CID 22523044

About N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 22523044) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• PubChem CID: 22523044
• Molecular Formula: C27H25N3O3
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• SMILES: CC(=O)c1cccc(NC(=O)c2oc3c(c2C)-c2nn(Cc4ccc(C)cc4)cc2CC3)c1
• InChI: InChI=1S/C27H25N3O3/c1-16-7-9-19(10-8-16)14-30-15-21-11-12-23-24(25(21)29-30)17(2)26(33-23)27(32)28-22-6-4-5-20(13-22)18(3)31/h4-10,13,15H,11-12,14H2,1-3H3,(H,28,32)
• InChIKey: GZYBJPJPXJQRNB-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The IUPAC name of N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 22523044) is N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

What is the SMILES notation for N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The canonical SMILES for N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is CC(=O)c1cccc(NC(=O)c2oc3c(c2C)-c2nn(Cc4ccc(C)cc4)cc2CC3)c1.

What is the InChIKey of N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The InChIKey is GZYBJPJPXJQRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-16-7-9-19(10-8-16)14-30-15-21-11-12-23-24(25(21)29-30)17(2)26(33-23)27(32)28-22-6-4-5-20(13-22)18(3)31/h4-10,13,15H,11-12,14H2,1-3H3,(H,28,32).

What are the key properties of N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 22523044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).