1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

C19H22F3N5O — CID 134280854

IUPAC1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)N1CC2C(C1)C2n1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1C(C)C
InChIInChI=1S/C19H22F3N5O/c1-9(2)18-25-15(11-4-14(19(20,21)22)17(23)24-5-11)8-27(18)16-12-6-26(10(3)28)7-13(12)16/h4-5,8-9,12-13,16H,6-7H2,1-3H3,(H2,23,24)
InChIKeyQVSFZJFEKRUCQS-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.32
Rot. Bonds3

About 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 134280854) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID134280854
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)N1CC2C(C1)C2n1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1C(C)C
InChIInChI=1S/C19H22F3N5O/c1-9(2)18-25-15(11-4-14(19(20,21)22)17(23)24-5-11)8-27(18)16-12-6-26(10(3)28)7-13(12)16/h4-5,8-9,12-13,16H,6-7H2,1-3H3,(H2,23,24)
InChIKeyQVSFZJFEKRUCQS-UHFFFAOYSA-N
XLogP3.32
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
1-[(1R,5S,6R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azatricyclo[3.1.0.02,6]hexan-3-yl]ethanone
CID 134299184
(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
5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299194
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
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
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-[(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
5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 135349817
5-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The IUPAC name of 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) is 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.
What is the SMILES notation for 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The canonical SMILES for 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is CC(=O)N1CC2C(C1)C2n1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1C(C)C.
What is the InChIKey of 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is QVSFZJFEKRUCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-9(2)18-25-15(11-4-14(19(20,21)22)17(23)24-5-11)8-27(18)16-12-6-26(10(3)28)7-13(12)16/h4-5,8-9,12-13,16H,6-7H2,1-3H3,(H2,23,24).
What are the key properties of 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 393.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 134280854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).