4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine

C26H25F3N10 — CID 155152146

About 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine

4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine (PubChem CID 155152146) has the molecular formula C26H25F3N10 and a molecular weight of 534.55 g/mol. Its IUPAC name is 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
• PubChem CID: 155152146
• Molecular Formula: C26H25F3N10
• Molecular Weight: 534.55 g/mol
• Exact Mass: 534.22
• IUPAC Name: 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
• SMILES: C=Cc1[nH]ncc1C1=CNC(c2cn(-c3ccnc(Nc4ncccn4)n3)nc2C(F)(F)F)C=C1CCCC
• InChI: InChI=1S/C26H25F3N10/c1-3-5-7-16-12-21(33-13-17(16)18-14-34-37-20(18)4-2)19-15-39(38-23(19)26(27,28)29)22-8-11-32-25(35-22)36-24-30-9-6-10-31-24/h4,6,8-15,21,33H,2-3,5,7H2,1H3,(H,34,37)(H,30,31,32,35,36)
• InChIKey: MWFIWPNHWRIYAD-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 122.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.55
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?

The IUPAC name of 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine (CID 155152146) is 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine.

What is the SMILES notation for 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?

The canonical SMILES for 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine is C=Cc1[nH]ncc1C1=CNC(c2cn(-c3ccnc(Nc4ncccn4)n3)nc2C(F)(F)F)C=C1CCCC.

What is the InChIKey of 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?

The InChIKey is MWFIWPNHWRIYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N10/c1-3-5-7-16-12-21(33-13-17(16)18-14-34-37-20(18)4-2)19-15-39(38-23(19)26(27,28)29)22-8-11-32-25(35-22)36-24-30-9-6-10-31-24/h4,6,8-15,21,33H,2-3,5,7H2,1H3,(H,34,37)(H,30,31,32,35,36).

What are the key properties of 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine?

4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine has a molecular weight of 534.55 g/mol, XLogP of 5.38, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N-pyrimidin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 155152146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).