N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

C116H164F8N20O4 — CID 158717711

IUPACN-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
SMILES[2H]C([2H])(CC(NC(=O)C1C([2H])([2H])C([2H])([2H])C(F)(F)C([2H])([2H])C1([2H])[2H])c1ccccc1)N1C2CCC1CC(n1c(C)nnc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C2.[2H]C([2H])(CC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1)N1C2CCC1CC(n1c(C)nnc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C2.[2H]C([2H])([2H])C([2H])(c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1C([2H])([2H])C([2H])([2H])C(F)(F)C([2H])([2H])C1([2H])[2H])c1ccccc1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1)C([2H])([2H])[2H]
InChIInChI=1S/4C29H41F2N5O/c4*1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4*4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/i1D3,2D3,11D2,12D2,14D2,15D2,16D2,19D;1D3,2D3,11D2,12D2,14D2,15D2,19D;1D3,2D3,16D2,19D;1D3,2D3,19D
InChIKeyIJNIQIVVAAOGNK-YWYADPSASA-N
MW2103.00 g/mol
LogP23.80
Rot. Bonds40

About N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide (PubChem CID 158717711) has the molecular formula C116H164F8N20O4 and a molecular weight of 2103.00 g/mol. Its IUPAC name is N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
PubChem CID158717711
Molecular FormulaC116H164F8N20O4
Molecular Weight2103.00 g/mol
Exact Mass2101.61
IUPAC NameN-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
SMILES[2H]C([2H])(CC(NC(=O)C1C([2H])([2H])C([2H])([2H])C(F)(F)C([2H])([2H])C1([2H])[2H])c1ccccc1)N1C2CCC1CC(n1c(C)nnc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C2.[2H]C([2H])(CC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1)N1C2CCC1CC(n1c(C)nnc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C2.[2H]C([2H])([2H])C([2H])(c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1C([2H])([2H])C([2H])([2H])C(F)(F)C([2H])([2H])C1([2H])[2H])c1ccccc1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1)C([2H])([2H])[2H]
InChIInChI=1S/4C29H41F2N5O/c4*1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4*4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/i1D3,2D3,11D2,12D2,14D2,15D2,16D2,19D;1D3,2D3,11D2,12D2,14D2,15D2,19D;1D3,2D3,16D2,19D;1D3,2D3,19D
InChIKeyIJNIQIVVAAOGNK-YWYADPSASA-N
XLogP23.80
TPSA252.20 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.00
LogP ≤ 523.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide (CID 158717711) is N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide is [2H]C([2H])(CC(NC(=O)C1C([2H])([2H])C([2H])([2H])C(F)(F)C([2H])([2H])C1([2H])[2H])c1ccccc1)N1C2CCC1CC(n1c(C)nnc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C2.[2H]C([2H])(CC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1)N1C2CCC1CC(n1c(C)nnc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C2.[2H]C([2H])([2H])C([2H])(c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1C([2H])([2H])C([2H])([2H])C(F)(F)C([2H])([2H])C1([2H])[2H])c1ccccc1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1)C([2H])([2H])[2H].
What is the InChIKey of N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide?
The InChIKey is IJNIQIVVAAOGNK-YWYADPSASA-N. The full InChI is InChI=1S/4C29H41F2N5O/c4*1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4*4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/i1D3,2D3,11D2,12D2,14D2,15D2,16D2,19D;1D3,2D3,11D2,12D2,14D2,15D2,19D;1D3,2D3,16D2,19D;1D3,2D3,19D.
What are the key properties of N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide?
N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide has a molecular weight of 2103.00 g/mol, XLogP of 23.80, 40 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-N-[3,3-dideuterio-3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;2,2,3,3,5,5,6,6-octadeuterio-4,4-difluoro-N-[3-[3-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 158717711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).