N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide

C40H30F6N4O2 — CID 18409208

About N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide

N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide (PubChem CID 18409208) has the molecular formula C40H30F6N4O2 and a molecular weight of 712.69 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide.

Molecular Properties

• Compound Name: N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide
• PubChem CID: 18409208
• Molecular Formula: C40H30F6N4O2
• Molecular Weight: 712.69 g/mol
• Exact Mass: 712.23
• IUPAC Name: N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide
• SMILES: O=C(Nc1ccc2c(cnn2CCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C40H30F6N4O2/c41-39(42,43)24-47-37(52)38(33-12-5-3-9-30(33)31-10-4-6-13-34(31)38)20-7-21-50-35-19-18-28(22-26(35)23-48-50)49-36(51)32-11-2-1-8-29(32)25-14-16-27(17-15-25)40(44,45)46/h1-6,8-19,22-23H,7,20-21,24H2,(H,47,52)(H,49,51)
• InChIKey: WVRIKBRIUHXZNA-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.69
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide?

The IUPAC name of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide (CID 18409208) is N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide.

What is the SMILES notation for N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide?

The canonical SMILES for N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide is O=C(Nc1ccc2c(cnn2CCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide?

The InChIKey is WVRIKBRIUHXZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F6N4O2/c41-39(42,43)24-47-37(52)38(33-12-5-3-9-30(33)31-10-4-6-13-34(31)38)20-7-21-50-35-19-18-28(22-26(35)23-48-50)49-36(51)32-11-2-1-8-29(32)25-14-16-27(17-15-25)40(44,45)46/h1-6,8-19,22-23H,7,20-21,24H2,(H,47,52)(H,49,51).

What are the key properties of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide?

N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide has a molecular weight of 712.69 g/mol, XLogP of 9.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indazol-1-yl]propyl]fluorene-9-carboxamide is sourced from PubChem (CID 18409208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).