1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile

C56H43ClF4N10O6 — CID 90703738

About 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile

1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 90703738) has the molecular formula C56H43ClF4N10O6 and a molecular weight of 1063.47 g/mol. Its IUPAC name is 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
• PubChem CID: 90703738
• Molecular Formula: C56H43ClF4N10O6
• Molecular Weight: 1063.47 g/mol
• Exact Mass: 1062.30
• IUPAC Name: 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
• SMILES: Cc1cnn(-c2cc(C)nc3c(OCc4c(Cl)cc(OCc5c[nH]c(-c6cc(C)nc7c(OCc8c(F)c[nH]c(=O)c8Cn8cccc(C(F)(F)F)c8=O)cccc67)c5C)nc4Cn4cccc(C#N)c4=O)cccc23)c1
• InChI: InChI=1S/C56H43ClF4N10O6/c1-30-21-65-71(24-30)46-18-32(3)67-52-37(46)11-6-14-48(52)76-29-41-43(57)19-49(68-45(41)26-70-15-7-9-34(20-62)54(70)73)77-27-35-22-63-50(33(35)4)38-17-31(2)66-51-36(38)10-5-13-47(51)75-28-40-39(53(72)64-23-44(40)58)25-69-16-8-12-42(55(69)74)56(59,60)61/h5-19,21-24,63H,25-29H2,1-4H3,(H,64,72)
• InChIKey: JHQGVRXNTFJQKU-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 200.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.47
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?

The IUPAC name of 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile (CID 90703738) is 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile is Cc1cnn(-c2cc(C)nc3c(OCc4c(Cl)cc(OCc5c[nH]c(-c6cc(C)nc7c(OCc8c(F)c[nH]c(=O)c8Cn8cccc(C(F)(F)F)c8=O)cccc67)c5C)nc4Cn4cccc(C#N)c4=O)cccc23)c1.

What is the InChIKey of 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?

The InChIKey is JHQGVRXNTFJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43ClF4N10O6/c1-30-21-65-71(24-30)46-18-32(3)67-52-37(46)11-6-14-48(52)76-29-41-43(57)19-49(68-45(41)26-70-15-7-9-34(20-62)54(70)73)77-27-35-22-63-50(33(35)4)38-17-31(2)66-51-36(38)10-5-13-47(51)75-28-40-39(53(72)64-23-44(40)58)25-69-16-8-12-42(55(69)74)56(59,60)61/h5-19,21-24,63H,25-29H2,1-4H3,(H,64,72).

What are the key properties of 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile?

1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 1063.47 g/mol, XLogP of 10.12, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-chloro-6-[[5-[8-[[5-fluoro-2-oxo-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyridin-4-yl]methoxy]-2-methylquinolin-4-yl]-4-methyl-1H-pyrrol-3-yl]methoxy]-3-[[2-methyl-4-(4-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 90703738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).