N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide

C29H24ClF3N6O3 — CID 25015859

About N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide

N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 25015859) has the molecular formula C29H24ClF3N6O3 and a molecular weight of 597.00 g/mol. Its IUPAC name is N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide
• PubChem CID: 25015859
• Molecular Formula: C29H24ClF3N6O3
• Molecular Weight: 597.00 g/mol
• Exact Mass: 596.16
• IUPAC Name: N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide
• SMILES: CC(=O)NCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(Cl)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12
• InChI: InChI=1S/C29H24ClF3N6O3/c1-16-11-20(26-18(13-36-38-26)12-35-17(2)40)19-5-3-7-25(27(19)37-16)42-15-21-23(30)8-9-34-24(21)14-39-10-4-6-22(28(39)41)29(31,32)33/h3-11,13H,12,14-15H2,1-2H3,(H,35,40)(H,36,38)
• InChIKey: SUQUOTFLUYTUTQ-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.00
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?

The IUPAC name of N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide (CID 25015859) is N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide.

What is the SMILES notation for N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?

The canonical SMILES for N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide is CC(=O)NCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(Cl)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12.

What is the InChIKey of N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?

The InChIKey is SUQUOTFLUYTUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF3N6O3/c1-16-11-20(26-18(13-36-38-26)12-35-17(2)40)19-5-3-7-25(27(19)37-16)42-15-21-23(30)8-9-34-24(21)14-39-10-4-6-22(28(39)41)29(31,32)33/h3-11,13H,12,14-15H2,1-2H3,(H,35,40)(H,36,38).

What are the key properties of N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?

N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 597.00 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[8-[[4-chloro-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 25015859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).