5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

C19H19F4N5O — CID 134315947

IUPAC5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn([C@@]34C5[C@H]3[C@H]4CN5CCF)c(C3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H19F4N5O/c20-3-4-27-7-11-14-15(27)18(11,14)28-8-12(26-17(28)9-1-2-9)10-5-13(16(24)25-6-10)29-19(21,22)23/h5-6,8-9,11,14-15H,1-4,7H2,(H2,24,25)/t11-,14-,15?,18-/m1/s1
InChIKeyOJINQXQXWCYIOU-JXRUMUODSA-N
MW409.39 g/mol
LogP2.91
Rot. Bonds6

About 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 134315947) has the molecular formula C19H19F4N5O and a molecular weight of 409.39 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID134315947
Molecular FormulaC19H19F4N5O
Molecular Weight409.39 g/mol
Exact Mass409.15
IUPAC Name5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn([C@@]34C5[C@H]3[C@H]4CN5CCF)c(C3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H19F4N5O/c20-3-4-27-7-11-14-15(27)18(11,14)28-8-12(26-17(28)9-1-2-9)10-5-13(16(24)25-6-10)29-19(21,22)23/h5-6,8-9,11,14-15H,1-4,7H2,(H2,24,25)/t11-,14-,15?,18-/m1/s1
InChIKeyOJINQXQXWCYIOU-JXRUMUODSA-N
XLogP2.91
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

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Related Compounds

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-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134601218
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 135193466
1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol
CID 135193416
5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134601002
5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 167193849
N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide
CID 167500058
5-[1-[(5R,6R)-3-(4-methylpiperazin-1-yl)-1-tricyclo[3.1.0.02,6]hexanyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134315945
5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 142298603
5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134316039
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-[3-(4-methylpiperazin-1-yl)but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 167193748

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 134315947) is 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cn([C@@]34C5[C@H]3[C@H]4CN5CCF)c(C3CC3)n2)cc1OC(F)(F)F.
What is the InChIKey of 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is OJINQXQXWCYIOU-JXRUMUODSA-N. The full InChI is InChI=1S/C19H19F4N5O/c20-3-4-27-7-11-14-15(27)18(11,14)28-8-12(26-17(28)9-1-2-9)10-5-13(16(24)25-6-10)29-19(21,22)23/h5-6,8-9,11,14-15H,1-4,7H2,(H2,24,25)/t11-,14-,15?,18-/m1/s1.
What are the key properties of 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 409.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 134315947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).