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

C26H24ClN3O4 — CID 22523122

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

2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 22523122) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• PubChem CID: 22523122
• Molecular Formula: C26H24ClN3O4
• Molecular Weight: 477.95 g/mol
• Exact Mass: 477.15
• IUPAC Name: 2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• SMILES: COc1cc(NC(=O)c2oc3c(c2C)-c2nn(Cc4ccccc4Cl)cc2CC3)cc(OC)c1
• InChI: InChI=1S/C26H24ClN3O4/c1-15-23-22(34-25(15)26(31)28-18-10-19(32-2)12-20(11-18)33-3)9-8-17-14-30(29-24(17)23)13-16-6-4-5-7-21(16)27/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,28,31)
• InChIKey: DERLDTANOAKGIR-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.95
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 22523122) is 2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

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

The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is COc1cc(NC(=O)c2oc3c(c2C)-c2nn(Cc4ccccc4Cl)cc2CC3)cc(OC)c1.

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

The InChIKey is DERLDTANOAKGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-15-23-22(34-25(15)26(31)28-18-10-19(32-2)12-20(11-18)33-3)9-8-17-14-30(29-24(17)23)13-16-6-4-5-7-21(16)27/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,28,31).

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

2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 22523122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).