4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide

C34H37F3N4O3 — CID 150691537

About 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide

4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide (PubChem CID 150691537) has the molecular formula C34H37F3N4O3 and a molecular weight of 606.69 g/mol. Its IUPAC name is 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
• PubChem CID: 150691537
• Molecular Formula: C34H37F3N4O3
• Molecular Weight: 606.69 g/mol
• Exact Mass: 606.28
• IUPAC Name: 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
• SMILES: CCCCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)CC3)cc2c1C
• InChI: InChI=1S/C34H37F3N4O3/c1-3-4-5-18-38-32(42)29-14-15-31-30(23(29)2)22-41(39-31)21-24-16-19-40(20-17-24)33(43)25-6-10-27(11-7-25)44-28-12-8-26(9-13-28)34(35,36)37/h6-15,22,24H,3-5,16-21H2,1-2H3,(H,38,42)
• InChIKey: JJZDWJRTYBGRFT-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.69
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?

The IUPAC name of 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide (CID 150691537) is 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide is CCCCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)CC3)cc2c1C.

What is the InChIKey of 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?

The InChIKey is JJZDWJRTYBGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N4O3/c1-3-4-5-18-38-32(42)29-14-15-31-30(23(29)2)22-41(39-31)21-24-16-19-40(20-17-24)33(43)25-6-10-27(11-7-25)44-28-12-8-26(9-13-28)34(35,36)37/h6-15,22,24H,3-5,16-21H2,1-2H3,(H,38,42).

What are the key properties of 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide?

4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide has a molecular weight of 606.69 g/mol, XLogP of 7.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide is sourced from PubChem (CID 150691537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).