8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C27H23FN4O4 — CID 142828740

About 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 142828740) has the molecular formula C27H23FN4O4 and a molecular weight of 486.50 g/mol. Its IUPAC name is 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
• PubChem CID: 142828740
• Molecular Formula: C27H23FN4O4
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.17
• IUPAC Name: 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
• SMILES: COc1cc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4ccc(F)cc4C)ccc2CC3)ccc1O
• InChI: InChI=1S/C27H23FN4O4/c1-14-11-16(28)5-9-19(14)27(35)30-17-6-3-15-4-8-20-24(26(29)34)31-32(25(20)21(15)12-17)18-7-10-22(33)23(13-18)36-2/h3,5-7,9-13,33H,4,8H2,1-2H3,(H2,29,34)(H,30,35)
• InChIKey: KNMNFDVGHKJSTI-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 119.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The IUPAC name of 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 142828740) is 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

What is the SMILES notation for 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The canonical SMILES for 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is COc1cc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4ccc(F)cc4C)ccc2CC3)ccc1O.

What is the InChIKey of 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The InChIKey is KNMNFDVGHKJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O4/c1-14-11-16(28)5-9-19(14)27(35)30-17-6-3-15-4-8-20-24(26(29)34)31-32(25(20)21(15)12-17)18-7-10-22(33)23(13-18)36-2/h3,5-7,9-13,33H,4,8H2,1-2H3,(H2,29,34)(H,30,35).

What are the key properties of 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(4-fluoro-2-methylbenzoyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 142828740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).