2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide

C33H33F3N6O3 — CID 59483923

About 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide

2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide (PubChem CID 59483923) has the molecular formula C33H33F3N6O3 and a molecular weight of 618.66 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide
• PubChem CID: 59483923
• Molecular Formula: C33H33F3N6O3
• Molecular Weight: 618.66 g/mol
• Exact Mass: 618.26
• IUPAC Name: 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide
• SMILES: Cc1cc(-c2[nH]ncc2CNC(=O)C(C)(C)C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
• InChI: InChI=1S/C33H33F3N6O3/c1-19-11-12-37-26(17-42-13-7-9-25(30(42)43)33(34,35)36)24(19)18-45-27-10-6-8-22-23(14-20(2)40-29(22)27)28-21(16-39-41-28)15-38-31(44)32(3,4)5/h6-14,16H,15,17-18H2,1-5H3,(H,38,44)(H,39,41)
• InChIKey: UHUOIACMUOQFCZ-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.66
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide (CID 59483923) is 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide is Cc1cc(-c2[nH]ncc2CNC(=O)C(C)(C)C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.

What is the InChIKey of 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide?

The InChIKey is UHUOIACMUOQFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F3N6O3/c1-19-11-12-37-26(17-42-13-7-9-25(30(42)43)33(34,35)36)24(19)18-45-27-10-6-8-22-23(14-20(2)40-29(22)27)28-21(16-39-41-28)15-38-31(44)32(3,4)5/h6-14,16H,15,17-18H2,1-5H3,(H,38,44)(H,39,41).

What are the key properties of 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide?

2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide has a molecular weight of 618.66 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 59483923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).