N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

C23H27F3N4O2 — CID 45268687

IUPACN-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2[C@H]3CN(CC4CC4)C[C@@H]23)c1
InChIInChI=1S/C23H27F3N4O2/c1-28-13-21(27-14-28)22(31)30(9-16-3-2-4-17(7-16)32-23(24,25)26)12-20-18-10-29(11-19(18)20)8-15-5-6-15/h2-4,7,13-15,18-20H,5-6,8-12H2,1H3/t18-,19+,20?
InChIKeyDKYPWVLLGYCVPS-YOFSQIOKSA-N
MW448.49 g/mol
LogP3.55
Rot. Bonds8

About N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide

N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 45268687) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
PubChem CID45268687
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC NameN-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2[C@H]3CN(CC4CC4)C[C@@H]23)c1
InChIInChI=1S/C23H27F3N4O2/c1-28-13-21(27-14-28)22(31)30(9-16-3-2-4-17(7-16)32-23(24,25)26)12-20-18-10-29(11-19(18)20)8-15-5-6-15/h2-4,7,13-15,18-20H,5-6,8-12H2,1H3/t18-,19+,20?
InChIKeyDKYPWVLLGYCVPS-YOFSQIOKSA-N
XLogP3.55
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide with MolForge

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 155883051
4-((1-(3-phenoxybenzyl)-1H-imidazol-5-yl)methyl)-1-(4-(trifluoromethyl)phenyl)piperazin-2-one
CID 44280014
1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]-8-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]purine-2,6-dione
CID 44363056
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45267807
N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45270376
N-[[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45272936
1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45272939
N-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 46216732
N-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-1-methylimidazole-4-carboxamide
CID 46216733
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 46230961
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxy-4-fluorophenyl)methyl]-1-methylimidazole-4-carboxamide
CID 46230962
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide
CID 46231012

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide (CID 45268687) is N-[[(1S,5R)-3-(cyclopropylmethyl)-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-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2[C@H]3CN(CC4CC4)C[C@@H]23)c1.
What is the InChIKey of N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is DKYPWVLLGYCVPS-YOFSQIOKSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-28-13-21(27-14-28)22(31)30(9-16-3-2-4-17(7-16)32-23(24,25)26)12-20-18-10-29(11-19(18)20)8-15-5-6-15/h2-4,7,13-15,18-20H,5-6,8-12H2,1H3/t18-,19+,20?.
What are the key properties of N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide?
N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 45268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).