5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C17H18F3N5 — CID 163773224

IUPAC5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn([C@]34CNC[C@H]3C4)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C17H18F3N5/c18-17(19,20)12-3-10(5-23-14(12)21)13-7-25(15(24-13)9-1-2-9)16-4-11(16)6-22-8-16/h3,5,7,9,11,22H,1-2,4,6,8H2,(H2,21,23)/t11-,16-/m1/s1
InChIKeyMIERDYQWMMHMIU-BDJLRTHQSA-N
MW349.36 g/mol
LogP2.74
Rot. Bonds3

About 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 163773224) has the molecular formula C17H18F3N5 and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID163773224
Molecular FormulaC17H18F3N5
Molecular Weight349.36 g/mol
Exact Mass349.15
IUPAC Name5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn([C@]34CNC[C@H]3C4)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C17H18F3N5/c18-17(19,20)12-3-10(5-23-14(12)21)13-7-25(15(24-13)9-1-2-9)16-4-11(16)6-22-8-16/h3,5,7,9,11,22H,1-2,4,6,8H2,(H2,21,23)/t11-,16-/m1/s1
InChIKeyMIERDYQWMMHMIU-BDJLRTHQSA-N
XLogP2.74
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
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
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-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 135193466
4-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine
CID 135192767
5-[1-[(1R,5S,6R)-3-(oxan-4-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299032
6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 66748751
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134601218
5-[2-(cyclopropylmethyl)-1-[(1S,5R,6S)-3-(oxetan-3-yl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134315956
5-[2-(cyclopropylmethyl)-1-[(3R)-3-(4-methylpiperazin-1-yl)-1-bicyclo[2.1.1]hexanyl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134601000

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 163773224) is 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cn([C@]34CNC[C@H]3C4)c(C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MIERDYQWMMHMIU-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H18F3N5/c18-17(19,20)12-3-10(5-23-14(12)21)13-7-25(15(24-13)9-1-2-9)16-4-11(16)6-22-8-16/h3,5,7,9,11,22H,1-2,4,6,8H2,(H2,21,23)/t11-,16-/m1/s1.
What are the key properties of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 349.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 163773224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).