sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane

C72H79ClN7NaO12S2 — CID 161149279

IUPACsodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane
SMILESC1CCOC1.Cc1[nH]c2ccccc2c1C(=O)O.Cc1cc(C)c(CCC(=O)c2c(C)[nH]c3ccccc23)c(O)c1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C24H23N3O4S.C20H21NO2.C10H9NO2.C8H12N2O.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-12-10-13(2)15(19(23)11-12)8-9-18(22)20-14(3)21-17-7-5-4-6-16(17)20;1-6-9(10(12)13)7-4-2-3-5-8(7)11-6;1-5-3-6(2)10-8(11)7(5)4-9;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-7,10-11,21,23H,8-9H2,1-3H3;2-5,11H,1H3,(H,12,13);3H,4,9H2,1-2H3,(H,10,11);1-5H;1-4H2;;/q;;;;;;+1;-1
InChIKeyOIGKJZIATBGMMD-UHFFFAOYSA-N
MW1357.04 g/mol
LogP10.19
Rot. Bonds12

About sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane

sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane (PubChem CID 161149279) has the molecular formula C72H79ClN7NaO12S2 and a molecular weight of 1357.04 g/mol. Its IUPAC name is sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane.

Molecular Properties

Compound Namesodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane
PubChem CID161149279
Molecular FormulaC72H79ClN7NaO12S2
Molecular Weight1357.04 g/mol
Exact Mass1355.48
IUPAC Namesodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane
SMILESC1CCOC1.Cc1[nH]c2ccccc2c1C(=O)O.Cc1cc(C)c(CCC(=O)c2c(C)[nH]c3ccccc23)c(O)c1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C24H23N3O4S.C20H21NO2.C10H9NO2.C8H12N2O.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-12-10-13(2)15(19(23)11-12)8-9-18(22)20-14(3)21-17-7-5-4-6-16(17)20;1-6-9(10(12)13)7-4-2-3-5-8(7)11-6;1-5-3-6(2)10-8(11)7(5)4-9;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-7,10-11,21,23H,8-9H2,1-3H3;2-5,11H,1H3,(H,12,13);3H,4,9H2,1-2H3,(H,10,11);1-5H;1-4H2;;/q;;;;;;+1;-1
InChIKeyOIGKJZIATBGMMD-UHFFFAOYSA-N
XLogP10.19
TPSA309.46 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001357.04
LogP ≤ 510.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane with MolForge

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Related Compounds

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2-bromopropanoyl chloride;2-bromo-1-pyrrolidin-1-ylpropan-1-one;cyclopentane;4,6-dimethyl-3-[3-[2-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;1-(2-methyl-1H-indol-3-yl)ethanone;methyl 2-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)indole-3-carboxylate;2-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)indole-3-carboxylic acid
CID 161429660
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide
CID 71661182
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;1-[1-(4-chlorophenyl)ethyl]-2-methylindole-3-carboxylic acid;3-[3-[1-[1-(4-chlorophenyl)ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one
CID 158932028
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31959852
1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 71715065
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-2-methylindole-3-carboxamide
CID 122186509
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide
CID 144791528
2-methyl-N-[[6-methyl-2-oxo-4-(trideuteriomethylsulfanyl)-1H-pyridin-3-yl]methyl]-1H-indole-3-carboxamide
CID 175756031
1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride
CID 126736254
4,6-dimethyl-3-[3-[2-methyl-1-[(1R)-1-[1-(1-methylazetidin-3-yl)sulfonylpiperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 153158091
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[iodo-[(4S)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide
CID 145138213

Frequently Asked Questions

What is the IUPAC name of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane?
The IUPAC name of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane (CID 161149279) is sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane.
What is the SMILES notation for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane?
The canonical SMILES for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane is C1CCOC1.Cc1[nH]c2ccccc2c1C(=O)O.Cc1cc(C)c(CCC(=O)c2c(C)[nH]c3ccccc23)c(O)c1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane?
The InChIKey is OIGKJZIATBGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S.C20H21NO2.C10H9NO2.C8H12N2O.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-12-10-13(2)15(19(23)11-12)8-9-18(22)20-14(3)21-17-7-5-4-6-16(17)20;1-6-9(10(12)13)7-4-2-3-5-8(7)11-6;1-5-3-6(2)10-8(11)7(5)4-9;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-7,10-11,21,23H,8-9H2,1-3H3;2-5,11H,1H3,(H,12,13);3H,4,9H2,1-2H3,(H,10,11);1-5H;1-4H2;;/q;;;;;;+1;-1.
What are the key properties of sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane?
sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane has a molecular weight of 1357.04 g/mol, XLogP of 10.19, 12 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydride;3-(2-hydroxy-4,6-dimethylphenyl)-1-(2-methyl-1H-indol-3-yl)propan-1-one;2-methyl-1H-indole-3-carboxylic acid;oxolane is sourced from PubChem (CID 161149279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).