tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)

C150H144F24N12O6 — CID 158382820

IUPACtris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
SMILESCC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2
InChIInChI=1S/6C25H24F4N2O/c3*1-15-10-24(11-15)12-20(13-24)30-23(32)21-9-19(26)8-17-6-7-31(22(17)21)14-16-2-4-18(5-3-16)25(27,28)29;3*1-15-10-24(11-15)12-18(13-24)30-23(32)20-6-7-21(26)19-8-9-31(22(19)20)14-16-2-4-17(5-3-16)25(27,28)29/h3*2-9,15,20H,10-14H2,1H3,(H,30,32);3*2-9,15,18H,10-14H2,1H3,(H,30,32)
InChIKeyGVZTWXHMERGKJB-UHFFFAOYSA-N
MW2666.83 g/mol
LogP36.94
Rot. Bonds24

About tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)

tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide) (PubChem CID 158382820) has the molecular formula C150H144F24N12O6 and a molecular weight of 2666.83 g/mol. Its IUPAC name is tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide).

Molecular Properties

Compound Nametris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
PubChem CID158382820
Molecular FormulaC150H144F24N12O6
Molecular Weight2666.83 g/mol
Exact Mass2665.09
IUPAC Nametris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
SMILESCC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2
InChIInChI=1S/6C25H24F4N2O/c3*1-15-10-24(11-15)12-20(13-24)30-23(32)21-9-19(26)8-17-6-7-31(22(17)21)14-16-2-4-18(5-3-16)25(27,28)29;3*1-15-10-24(11-15)12-18(13-24)30-23(32)20-6-7-21(26)19-8-9-31(22(19)20)14-16-2-4-17(5-3-16)25(27,28)29/h3*2-9,15,20H,10-14H2,1H3,(H,30,32);3*2-9,15,18H,10-14H2,1H3,(H,30,32)
InChIKeyGVZTWXHMERGKJB-UHFFFAOYSA-N
XLogP36.94
TPSA204.18 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002666.83
LogP ≤ 536.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide) with MolForge

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Related Compounds

N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide
CID 159885813
2-[[1-[(4-tert-butylphenyl)methyl]-4-fluoroindole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578577
5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 175347600
ethane;2-[[4-fluoro-1-[(4-phenylphenyl)methyl]indole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 171566811
2-[[4-fluoro-1-[[4-(3-fluoro-5-methoxyphenyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578536
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 160685609
2-[(2S,4S)-3-[[5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]acetic acid
CID 170209739
6-[[4-fluoro-1-[(4-phenylphenyl)methyl]indole-7-carbonyl]amino]-2-methylspiro[3.3]heptane-2-carboxylic acid
CID 139578538
2-[[4-fluoro-1-[[4-(3-fluoro-4-methoxyphenyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578679
2-[[1-[(4-tert-butylphenyl)methyl]-4-chloroindole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578575
2-[[1-[(4-cyclopentyloxyphenyl)methyl]-4-fluoroindole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578493
N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide
CID 146206489

Frequently Asked Questions

What is the IUPAC name of tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)?
The IUPAC name of tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide) (CID 158382820) is tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide).
What is the SMILES notation for tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)?
The canonical SMILES for tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide) is CC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1cc(F)cc3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.CC1CC2(C1)CC(NC(=O)c1ccc(F)c3ccn(Cc4ccc(C(F)(F)F)cc4)c13)C2.
What is the InChIKey of tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)?
The InChIKey is GVZTWXHMERGKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C25H24F4N2O/c3*1-15-10-24(11-15)12-20(13-24)30-23(32)21-9-19(26)8-17-6-7-31(22(17)21)14-16-2-4-18(5-3-16)25(27,28)29;3*1-15-10-24(11-15)12-18(13-24)30-23(32)20-6-7-21(26)19-8-9-31(22(19)20)14-16-2-4-17(5-3-16)25(27,28)29/h3*2-9,15,20H,10-14H2,1H3,(H,30,32);3*2-9,15,18H,10-14H2,1H3,(H,30,32).
What are the key properties of tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)?
tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide) has a molecular weight of 2666.83 g/mol, XLogP of 36.94, 24 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide) is sourced from PubChem (CID 158382820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).