tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)

C147H147F18N15O6 — CID 159885812

About tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)

tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide) (PubChem CID 159885812) has the molecular formula C147H147F18N15O6 and a molecular weight of 2561.86 g/mol. Its IUPAC name is tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide).

Molecular Properties

• Compound Name: tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)
• PubChem CID: 159885812
• Molecular Formula: C147H147F18N15O6
• Molecular Weight: 2561.86 g/mol
• Exact Mass: 2560.14
• IUPAC Name: tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)
• SMILES: CC1CC2(C1)CC(NC(=O)c1cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2
• InChI: InChI=1S/3C25H25F3N2O.3C24H24F3N3O/c3*1-16-11-24(12-16)13-20(14-24)29-23(31)21-4-2-3-18-9-10-30(22(18)21)15-17-5-7-19(8-6-17)25(26,27)28;3*1-15-10-23(11-15)12-18(13-23)29-22(31)19-6-8-28-20-7-9-30(21(19)20)14-16-2-4-17(5-3-16)24(25,26)27/h3*2-10,16,20H,11-15H2,1H3,(H,29,31);3*2-9,15,18H,10-14H2,1H3,(H,29,31)
• InChIKey: NUCVYVDIDPRCIX-UHFFFAOYSA-N
• XLogP: 34.29
• TPSA: 242.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2561.86
LogP ≤ 5	34.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)?

The IUPAC name of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide) (CID 159885812) is tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide).

What is the SMILES notation for tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)?

The canonical SMILES for tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide) is CC1CC2(C1)CC(NC(=O)c1cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccnc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.

What is the InChIKey of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)?

The InChIKey is NUCVYVDIDPRCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H25F3N2O.3C24H24F3N3O/c3*1-16-11-24(12-16)13-20(14-24)29-23(31)21-4-2-3-18-9-10-30(22(18)21)15-17-5-7-19(8-6-17)25(26,27)28;3*1-15-10-23(11-15)12-18(13-23)29-22(31)19-6-8-28-20-7-9-30(21(19)20)14-16-2-4-17(5-3-16)24(25,26)27/h3*2-10,16,20H,11-15H2,1H3,(H,29,31);3*2-9,15,18H,10-14H2,1H3,(H,29,31).

What are the key properties of tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide)?

tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide) has a molecular weight of 2561.86 g/mol, XLogP of 34.29, 24 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide) is sourced from PubChem (CID 159885812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).