1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C24H23F3N6O2 — CID 158307847

About 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 158307847) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 158307847
• Molecular Formula: C24H23F3N6O2
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.18
• IUPAC Name: 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
• SMILES: Cc1ccc(Nc2ccc(CNC(=O)C3(CC(=O)c4cnnc(N)c4)CC3)nc2)c(C(F)(F)F)c1
• InChI: InChI=1S/C24H23F3N6O2/c1-14-2-5-19(18(8-14)24(25,26)27)32-17-4-3-16(29-13-17)12-30-22(35)23(6-7-23)10-20(34)15-9-21(28)33-31-11-15/h2-5,8-9,11,13,32H,6-7,10,12H2,1H3,(H2,28,33)(H,30,35)
• InChIKey: GNHQEFJYCMUEKU-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 122.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 158307847) is 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is Cc1ccc(Nc2ccc(CNC(=O)C3(CC(=O)c4cnnc(N)c4)CC3)nc2)c(C(F)(F)F)c1.

What is the InChIKey of 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is GNHQEFJYCMUEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-14-2-5-19(18(8-14)24(25,26)27)32-17-4-3-16(29-13-17)12-30-22(35)23(6-7-23)10-20(34)15-9-21(28)33-31-11-15/h2-5,8-9,11,13,32H,6-7,10,12H2,1H3,(H2,28,33)(H,30,35).

What are the key properties of 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-aminopyridazin-4-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158307847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).