5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C20H24F3N5 — CID 134295179

IUPAC5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1
InChIInChI=1S/C20H24F3N5/c1-2-27-8-13-14(9-27)18(13)28-10-16(26-17(28)5-11-3-4-11)12-6-15(20(21,22)23)19(24)25-7-12/h6-7,10-11,13-14,18H,2-5,8-9H2,1H3,(H2,24,25)/t13-,14+,18?
InChIKeyJEZXWTCCVQXXQU-UUVAVEHKSA-N
MW391.44 g/mol
LogP3.62
Rot. Bonds5

About 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134295179) has the molecular formula C20H24F3N5 and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134295179
Molecular FormulaC20H24F3N5
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC Name5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1
InChIInChI=1S/C20H24F3N5/c1-2-27-8-13-14(9-27)18(13)28-10-16(26-17(28)5-11-3-4-11)12-6-15(20(21,22)23)19(24)25-7-12/h6-7,10-11,13-14,18H,2-5,8-9H2,1H3,(H2,24,25)/t13-,14+,18?
InChIKeyJEZXWTCCVQXXQU-UUVAVEHKSA-N
XLogP3.62
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

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-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
CID 134295133
(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
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 140846861
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-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 134280853
5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134295221
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
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-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 134281066
5-[1-[(5S,6S)-1-methyl-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,2,2-trifluoroethyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134315904

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 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) is 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CCN1C[C@@H]2C(n3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3CC3CC3)[C@@H]2C1.
What is the InChIKey of 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JEZXWTCCVQXXQU-UUVAVEHKSA-N. The full InChI is InChI=1S/C20H24F3N5/c1-2-27-8-13-14(9-27)18(13)28-10-16(26-17(28)5-11-3-4-11)12-6-15(20(21,22)23)19(24)25-7-12/h6-7,10-11,13-14,18H,2-5,8-9H2,1H3,(H2,24,25)/t13-,14+,18?.
What are the key properties of 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 391.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134295179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).