(1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane

C20H25F3N4 — CID 134295061

IUPAC(1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane
SMILESCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C(C)C)[C@@H]2C1
InChIInChI=1S/C20H25F3N4/c1-5-26-8-14-15(9-26)18(14)27-10-17(25-19(27)11(2)3)13-6-16(20(21,22)23)12(4)24-7-13/h6-7,10-11,14-15,18H,5,8-9H2,1-4H3/t14-,15+,18?
InChIKeyABAMBHTZCLVFST-MVVMVCHASA-N
MW378.44 g/mol
LogP4.52
Rot. Bonds4

About (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane

(1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane (PubChem CID 134295061) has the molecular formula C20H25F3N4 and a molecular weight of 378.44 g/mol. Its IUPAC name is (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane
PubChem CID134295061
Molecular FormulaC20H25F3N4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name(1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane
SMILESCCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C(C)C)[C@@H]2C1
InChIInChI=1S/C20H25F3N4/c1-5-26-8-14-15(9-26)18(14)27-10-17(25-19(27)11(2)3)13-6-16(20(21,22)23)12(4)24-7-13/h6-7,10-11,14-15,18H,5,8-9H2,1-4H3/t14-,15+,18?
InChIKeyABAMBHTZCLVFST-MVVMVCHASA-N
XLogP4.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

5-[1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine
CID 134295135
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 134280854
5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134295179
1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol
CID 134295072
5-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 140846883
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
3-(difluoromethoxy)-5-[1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
CID 134281015
5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299194
5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 135349817
2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
CID 135192758
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 140846861
5-[1-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299117

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane (CID 134295061) is (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane is CCN1C[C@@H]2C(n3cc(-c4cnc(C)c(C(F)(F)F)c4)nc3C(C)C)[C@@H]2C1.
What is the InChIKey of (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is ABAMBHTZCLVFST-MVVMVCHASA-N. The full InChI is InChI=1S/C20H25F3N4/c1-5-26-8-14-15(9-26)18(14)27-10-17(25-19(27)11(2)3)13-6-16(20(21,22)23)12(4)24-7-13/h6-7,10-11,14-15,18H,5,8-9H2,1-4H3/t14-,15+,18?.
What are the key properties of (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane?
(1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 378.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-ethyl-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 134295061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).