potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide

C61H86FKN8O4 — CID 177356167

IUPACpotassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide
SMILESCC.CNc1ccn(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3ccc(C(C)=O)cc3C)CC2)c(=O)c1.[CH2-]CC(C(N)=O)N1C(=O)C(C)(C)c2cc(CN3CCN(CC(CCC)CCC)C(C)C3)c(F)cc21.[K+]
InChIInChI=1S/C31H36N4O2.C28H44FN4O2.C2H6.K/c1-20(18-29-22(3)33-13-9-30(29)35-16-12-27(32-6)19-31(35)37)23(4)34-14-10-25(11-15-34)28-8-7-26(24(5)36)17-21(28)2;1-7-10-20(11-8-2)17-32-13-12-31(16-19(32)4)18-21-14-22-25(15-23(21)29)33(24(9-3)26(30)34)27(35)28(22,5)6;1-2;/h7-10,12-13,16-19,23,32H,11,14-15H2,1-6H3;14-15,19-20,24H,3,7-13,16-18H2,1-2,4-6H3,(H2,30,34);1-2H3;/q;-1;;+1/b20-18+;;;
InChIKeyTVVMAJTZRQBILC-ZRUSLABSSA-N
MW1053.51 g/mol
LogP7.96
Rot. Bonds18

About potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide

potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide (PubChem CID 177356167) has the molecular formula C61H86FKN8O4 and a molecular weight of 1053.51 g/mol. Its IUPAC name is potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide.

Molecular Properties

Compound Namepotassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide
PubChem CID177356167
Molecular FormulaC61H86FKN8O4
Molecular Weight1053.51 g/mol
Exact Mass1052.64
IUPAC Namepotassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide
SMILESCC.CNc1ccn(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3ccc(C(C)=O)cc3C)CC2)c(=O)c1.[CH2-]CC(C(N)=O)N1C(=O)C(C)(C)c2cc(CN3CCN(CC(CCC)CCC)C(C)C3)c(F)cc21.[K+]
InChIInChI=1S/C31H36N4O2.C28H44FN4O2.C2H6.K/c1-20(18-29-22(3)33-13-9-30(29)35-16-12-27(32-6)19-31(35)37)23(4)34-14-10-25(11-15-34)28-8-7-26(24(5)36)17-21(28)2;1-7-10-20(11-8-2)17-32-13-12-31(16-19(32)4)18-21-14-22-25(15-23(21)29)33(24(9-3)26(30)34)27(35)28(22,5)6;1-2;/h7-10,12-13,16-19,23,32H,11,14-15H2,1-6H3;14-15,19-20,24H,3,7-13,16-18H2,1-2,4-6H3,(H2,30,34);1-2H3;/q;-1;;+1/b20-18+;;;
InChIKeyTVVMAJTZRQBILC-ZRUSLABSSA-N
XLogP7.96
TPSA137.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.51
LogP ≤ 57.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide?
The IUPAC name of potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide (CID 177356167) is potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide.
What is the SMILES notation for potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide?
The canonical SMILES for potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide is CC.CNc1ccn(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3ccc(C(C)=O)cc3C)CC2)c(=O)c1.[CH2-]CC(C(N)=O)N1C(=O)C(C)(C)c2cc(CN3CCN(CC(CCC)CCC)C(C)C3)c(F)cc21.[K+].
What is the InChIKey of potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide?
The InChIKey is TVVMAJTZRQBILC-ZRUSLABSSA-N. The full InChI is InChI=1S/C31H36N4O2.C28H44FN4O2.C2H6.K/c1-20(18-29-22(3)33-13-9-30(29)35-16-12-27(32-6)19-31(35)37)23(4)34-14-10-25(11-15-34)28-8-7-26(24(5)36)17-21(28)2;1-7-10-20(11-8-2)17-32-13-12-31(16-19(32)4)18-21-14-22-25(15-23(21)29)33(24(9-3)26(30)34)27(35)28(22,5)6;1-2;/h7-10,12-13,16-19,23,32H,11,14-15H2,1-6H3;14-15,19-20,24H,3,7-13,16-18H2,1-2,4-6H3,(H2,30,34);1-2H3;/q;-1;;+1/b20-18+;;;.
What are the key properties of potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide?
potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide has a molecular weight of 1053.51 g/mol, XLogP of 7.96, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-[3-[(E)-3-[4-(4-acetyl-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;ethane;2-[6-fluoro-3,3-dimethyl-5-[[3-methyl-4-(2-propylpentyl)piperazin-1-yl]methyl]-2-oxoindol-1-yl]butanamide is sourced from PubChem (CID 177356167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).