N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

C26H31F3N6O2 — CID 11950067

IUPACN-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCCn1ncc(CN2CC3C(C2)C3CN(Cc2cccc(OC(F)(F)F)c2)C(=O)c2cn(C)cn2)c1C
InChIInChI=1S/C26H31F3N6O2/c1-4-35-17(2)19(9-31-35)11-33-12-21-22(13-33)23(21)14-34(25(36)24-15-32(3)16-30-24)10-18-6-5-7-20(8-18)37-26(27,28)29/h5-9,15-16,21-23H,4,10-14H2,1-3H3
InChIKeyRDIASWNCMNWINE-UHFFFAOYSA-N
MW516.57 g/mol
LogP3.86
Rot. Bonds9

About N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 11950067) has the molecular formula C26H31F3N6O2 and a molecular weight of 516.57 g/mol. Its IUPAC name is N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
PubChem CID11950067
Molecular FormulaC26H31F3N6O2
Molecular Weight516.57 g/mol
Exact Mass516.25
IUPAC NameN-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCCn1ncc(CN2CC3C(C2)C3CN(Cc2cccc(OC(F)(F)F)c2)C(=O)c2cn(C)cn2)c1C
InChIInChI=1S/C26H31F3N6O2/c1-4-35-17(2)19(9-31-35)11-33-12-21-22(13-33)23(21)14-34(25(36)24-15-32(3)16-30-24)10-18-6-5-7-20(8-18)37-26(27,28)29/h5-9,15-16,21-23H,4,10-14H2,1-3H3
InChIKeyRDIASWNCMNWINE-UHFFFAOYSA-N
XLogP3.86
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 11950067) is N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is CCn1ncc(CN2CC3C(C2)C3CN(Cc2cccc(OC(F)(F)F)c2)C(=O)c2cn(C)cn2)c1C.
What is the InChIKey of N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is RDIASWNCMNWINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O2/c1-4-35-17(2)19(9-31-35)11-33-12-21-22(13-33)23(21)14-34(25(36)24-15-32(3)16-30-24)10-18-6-5-7-20(8-18)37-26(27,28)29/h5-9,15-16,21-23H,4,10-14H2,1-3H3.
What are the key properties of N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 516.57 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 11950067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).