N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C32H36FN5O2 — CID 20887550

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 20887550) has the molecular formula C32H36FN5O2 and a molecular weight of 541.67 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• PubChem CID: 20887550
• Molecular Formula: C32H36FN5O2
• Molecular Weight: 541.67 g/mol
• Exact Mass: 541.29
• IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• SMILES: Cc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCCCN4CCN(c5ccccc5F)CC4)c2C)CC3)cc1
• InChI: InChI=1S/C32H36FN5O2/c1-22-8-10-24(11-9-22)20-38-21-25-12-13-28-29(30(25)35-38)23(2)31(40-28)32(39)34-14-5-15-36-16-18-37(19-17-36)27-7-4-3-6-26(27)33/h3-4,6-11,21H,5,12-20H2,1-2H3,(H,34,39)
• InChIKey: VAOKGPMNWUMYTO-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 66.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.67
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 20887550) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCCCN4CCN(c5ccccc5F)CC4)c2C)CC3)cc1.

What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The InChIKey is VAOKGPMNWUMYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5O2/c1-22-8-10-24(11-9-22)20-38-21-25-12-13-28-29(30(25)35-38)23(2)31(40-28)32(39)34-14-5-15-36-16-18-37(19-17-36)27-7-4-3-6-26(27)33/h3-4,6-11,21H,5,12-20H2,1-2H3,(H,34,39).

What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 541.67 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 20887550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).