3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine

C17H24F3N5 — CID 142298530

IUPAC3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1ncc(-c2cnc(N)c(C(F)(F)F)c2)[nH]1.CC1CCNC1
InChIInChI=1S/C12H13F3N4.C5H11N/c1-6(2)11-18-5-9(19-11)7-3-8(12(13,14)15)10(16)17-4-7;1-5-2-3-6-4-5/h3-6H,1-2H3,(H2,16,17)(H,18,19);5-6H,2-4H2,1H3
InChIKeyHEIVMINEKZMTQD-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.81
Rot. Bonds2

About 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine

3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 142298530) has the molecular formula C17H24F3N5 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID142298530
Molecular FormulaC17H24F3N5
Molecular Weight355.41 g/mol
Exact Mass355.20
IUPAC Name3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1ncc(-c2cnc(N)c(C(F)(F)F)c2)[nH]1.CC1CCNC1
InChIInChI=1S/C12H13F3N4.C5H11N/c1-6(2)11-18-5-9(19-11)7-3-8(12(13,14)15)10(16)17-4-7;1-5-2-3-6-4-5/h3-6H,1-2H3,(H2,16,17)(H,18,19);5-6H,2-4H2,1H3
InChIKeyHEIVMINEKZMTQD-UHFFFAOYSA-N
XLogP3.81
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 142298536
5-[2-(cyclopropylmethyl)-1H-imidazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine;3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 142298559
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
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
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 90169763
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine
CID 144866314
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 121378694
5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 163773224

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 142298530) is 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine is CC(C)c1ncc(-c2cnc(N)c(C(F)(F)F)c2)[nH]1.CC1CCNC1.
What is the InChIKey of 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HEIVMINEKZMTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4.C5H11N/c1-6(2)11-18-5-9(19-11)7-3-8(12(13,14)15)10(16)17-4-7;1-5-2-3-6-4-5/h3-6H,1-2H3,(H2,16,17)(H,18,19);5-6H,2-4H2,1H3.
What are the key properties of 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 355.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 142298530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).