5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane

C20H24F5N5 — CID 142298559

IUPAC5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)CN1CC2CC2C1.Nc1ncc(-c2cnc(CC3CC3)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N4.C7H11F2N/c14-13(15,16)9-4-8(5-19-12(9)17)10-6-18-11(20-10)3-7-1-2-7;8-7(9)4-10-2-5-1-6(5)3-10/h4-7H,1-3H2,(H2,17,19)(H,18,20);5-7H,1-4H2
InChIKeyINIPWRMNOVVNHF-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.23
Rot. Bonds5

About 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane

5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 142298559) has the molecular formula C20H24F5N5 and a molecular weight of 429.44 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID142298559
Molecular FormulaC20H24F5N5
Molecular Weight429.44 g/mol
Exact Mass429.20
IUPAC Name5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)CN1CC2CC2C1.Nc1ncc(-c2cnc(CC3CC3)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N4.C7H11F2N/c14-13(15,16)9-4-8(5-19-12(9)17)10-6-18-11(20-10)3-7-1-2-7;8-7(9)4-10-2-5-1-6(5)3-10/h4-7H,1-3H2,(H2,17,19)(H,18,20);5-7H,1-4H2
InChIKeyINIPWRMNOVVNHF-UHFFFAOYSA-N
XLogP4.23
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-azabicyclo[3.1.0]hexan-3-yl)ethanone;5-[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 142298480
1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 142298536
5-[1-(2,2-difluoroethyl)-5-(8-pyrrolidin-1-yl-3-bicyclo[3.2.1]octanyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144865969
3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 142298530
5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144866117
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-(2,2-difluoroethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118161605
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
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 130986086
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-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
CID 142298581

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane (CID 142298559) is 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane is FC(F)CN1CC2CC2C1.Nc1ncc(-c2cnc(CC3CC3)[nH]2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is INIPWRMNOVVNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4.C7H11F2N/c14-13(15,16)9-4-8(5-19-12(9)17)10-6-18-11(20-10)3-7-1-2-7;8-7(9)4-10-2-5-1-6(5)3-10/h4-7H,1-3H2,(H2,17,19)(H,18,20);5-7H,1-4H2.
What are the key properties of 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane?
5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 429.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142298559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).