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

C19H20F3N5O — CID 140846861

IUPAC1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)N1CC2C(C1)C2n1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1C1CC1
InChIInChI=1S/C19H20F3N5O/c1-9(28)26-6-12-13(7-26)16(12)27-8-15(25-18(27)10-2-3-10)11-4-14(19(20,21)22)17(23)24-5-11/h4-5,8,10,12-13,16H,2-3,6-7H2,1H3,(H2,23,24)
InChIKeyQHUKASRTPOYNOT-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.07
Rot. Bonds3

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

1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (PubChem CID 140846861) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
PubChem CID140846861
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
SMILESCC(=O)N1CC2C(C1)C2n1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1C1CC1
InChIInChI=1S/C19H20F3N5O/c1-9(28)26-6-12-13(7-26)16(12)27-8-15(25-18(27)10-2-3-10)11-4-14(19(20,21)22)17(23)24-5-11/h4-5,8,10,12-13,16H,2-3,6-7H2,1H3,(H2,23,24)
InChIKeyQHUKASRTPOYNOT-UHFFFAOYSA-N
XLogP3.07
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone with MolForge

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Related Compounds

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-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280998
5-[2-cyclopropyl-1-[(5S)-2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.1.1]hexan-5-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 142298677
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-[2-cyclopropyl-1-[(1R,5S)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134281005
5-[2-cyclopropyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
CID 134295113
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)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 163773224
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine;1-(3-methylpyrrolidin-1-yl)ethanone
CID 144739911
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
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-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-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone (CID 140846861) is 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-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-cyclopropylimidazol-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-cyclopropylimidazol-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)nc1C1CC1.
What is the InChIKey of 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
The InChIKey is QHUKASRTPOYNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-9(28)26-6-12-13(7-26)16(12)27-8-15(25-18(27)10-2-3-10)11-4-14(19(20,21)22)17(23)24-5-11/h4-5,8,10,12-13,16H,2-3,6-7H2,1H3,(H2,23,24).
What are the key properties of 1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone?
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone has a molecular weight of 391.40 g/mol, XLogP of 3.07, 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-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone is sourced from PubChem (CID 140846861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).