5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

C20H26F3N5O2 — CID 167193849

About 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 167193849) has the molecular formula C20H26F3N5O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 167193849
• Molecular Formula: C20H26F3N5O2
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.20
• IUPAC Name: 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: C=C(CCn1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1)N(C)CCOC
• InChI: InChI=1S/C20H26F3N5O2/c1-13(27(2)8-9-29-3)6-7-28-12-16(26-19(28)14-4-5-14)15-10-17(18(24)25-11-15)30-20(21,22)23/h10-12,14H,1,4-9H2,2-3H3,(H2,24,25)
• InChIKey: RTPSAKHFQWVWRS-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 167193849) is 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is C=C(CCn1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1)N(C)CCOC.

What is the InChIKey of 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is RTPSAKHFQWVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O2/c1-13(27(2)8-9-29-3)6-7-28-12-16(26-19(28)14-4-5-14)15-10-17(18(24)25-11-15)30-20(21,22)23/h10-12,14H,1,4-9H2,2-3H3,(H2,24,25).

What are the key properties of 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?

5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 425.46 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 167193849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).