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

C19H26F5N5 — CID 142298536

IUPAC1-(2,2-difluoroethyl)-3-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.CC1CCN(CC(F)F)C1
InChIInChI=1S/C12H13F3N4.C7H13F2N/c1-6(2)11-18-5-9(19-11)7-3-8(12(13,14)15)10(16)17-4-7;1-6-2-3-10(4-6)5-7(8)9/h3-6H,1-2H3,(H2,16,17)(H,18,19);6-7H,2-5H2,1H3
InChIKeyPAQFORIHEDZCAU-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.79
Rot. Bonds4

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

1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 142298536) has the molecular formula C19H26F5N5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID142298536
Molecular FormulaC19H26F5N5
Molecular Weight419.44 g/mol
Exact Mass419.21
IUPAC Name1-(2,2-difluoroethyl)-3-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.CC1CCN(CC(F)F)C1
InChIInChI=1S/C12H13F3N4.C7H13F2N/c1-6(2)11-18-5-9(19-11)7-3-8(12(13,14)15)10(16)17-4-7;1-6-2-3-10(4-6)5-7(8)9/h3-6H,1-2H3,(H2,16,17)(H,18,19);6-7H,2-5H2,1H3
InChIKeyPAQFORIHEDZCAU-UHFFFAOYSA-N
XLogP4.79
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 142298536) is 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-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.CC1CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PAQFORIHEDZCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4.C7H13F2N/c1-6(2)11-18-5-9(19-11)7-3-8(12(13,14)15)10(16)17-4-7;1-6-2-3-10(4-6)5-7(8)9/h3-6H,1-2H3,(H2,16,17)(H,18,19);6-7H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine?
1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 419.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpyrrolidine;5-(2-propan-2-yl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 142298536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).