5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate

C118H112Cl4N8O28 — CID 157170983

IUPAC5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CC(=O)C(CCOC)n3cc(OC)c(-c4cc(Cl)ccc4C(C)=O)cc3=O)ccc2[nH]1.COCCC(C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.COCC[C@@H](C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.COCC[C@H](C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O
InChIInChI=1S/C31H31ClN2O7.3C29H27ClN2O7/c1-5-41-31(38)26-14-20-12-19(6-9-25(20)33-26)13-28(36)27(10-11-39-3)34-17-29(40-4)24(16-30(34)37)23-15-21(32)7-8-22(23)18(2)35;3*1-16(33)20-6-5-19(30)13-21(20)22-14-28(35)32(15-27(22)39-3)25(8-9-38-2)26(34)11-17-4-7-23-18(10-17)12-24(31-23)29(36)37/h6-9,12,14-17,27,33H,5,10-11,13H2,1-4H3;3*4-7,10,12-15,25,31H,8-9,11H2,1-3H3,(H,36,37)/t;2*25-;/m.10./s1
InChIKeyANLOMSIGHZNGOY-YBSFCVDXSA-N
MW2232.03 g/mol
LogP20.27
Rot. Bonds45

About 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate

5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate (PubChem CID 157170983) has the molecular formula C118H112Cl4N8O28 and a molecular weight of 2232.03 g/mol. Its IUPAC name is 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
PubChem CID157170983
Molecular FormulaC118H112Cl4N8O28
Molecular Weight2232.03 g/mol
Exact Mass2228.63
IUPAC Name5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CC(=O)C(CCOC)n3cc(OC)c(-c4cc(Cl)ccc4C(C)=O)cc3=O)ccc2[nH]1.COCCC(C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.COCC[C@@H](C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.COCC[C@H](C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O
InChIInChI=1S/C31H31ClN2O7.3C29H27ClN2O7/c1-5-41-31(38)26-14-20-12-19(6-9-25(20)33-26)13-28(36)27(10-11-39-3)34-17-29(40-4)24(16-30(34)37)23-15-21(32)7-8-22(23)18(2)35;3*1-16(33)20-6-5-19(30)13-21(20)22-14-28(35)32(15-27(22)39-3)25(8-9-38-2)26(34)11-17-4-7-23-18(10-17)12-24(31-23)29(36)37/h6-9,12,14-17,27,33H,5,10-11,13H2,1-4H3;3*4-7,10,12-15,25,31H,8-9,11H2,1-3H3,(H,36,37)/t;2*25-;/m.10./s1
InChIKeyANLOMSIGHZNGOY-YBSFCVDXSA-N
XLogP20.27
TPSA499.76 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds45
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002232.03
LogP ≤ 520.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate with MolForge

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Related Compounds

5-(4-(tert-butoxy)-2-(4-(5-chloro-2-propionylphenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)butanamido)-1H-indole-2-carboxylic acid
CID 134323385
bis(3-(5-chloro-2,6-dimethyl-1H-indol-3-yl)propanoic acid);3-[5-chloro-2-ethoxycarbonyl-4-(trifluoromethyl)-1H-indol-3-yl]propanoic acid;5-chloro-3-(3-ethoxy-3-oxopropyl)-6-methyl-1H-indole-2-carboxylic acid;ethyl 3-(1-benzyl-5-chloro-2-methylindol-3-yl)propanoate;ethyl 6-chloro-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylate
CID 158936047
1-benzyl-5-chloro-3-(3-ethoxy-3-oxopropyl)indole-2-carboxylic acid;3-(1-benzyl-5-chloro-2-methylindol-3-yl)propanoic acid;3-(2,5-dimethyl-1H-indol-3-yl)propanoic acid;ethyl 5-chloro-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate;ethyl 3-[5-chloro-2-methyl-4-(trifluoromethyl)-1H-indol-3-yl]propanoate;ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylate
CID 160930330
1,2-Bis[2-ethoxycarbonyl-3-(2-phthalimidoethyl)indol-5-yl]ethane
CID 13397863
5-[[6-chloro-5-(4-pyrrolidin-1-ylphenyl)-1H-indol-2-yl]methyl]-2-methylbenzoic acid;methyl 5-[[6-chloro-5-(4-pyrrolidin-1-ylphenyl)-1H-indol-2-yl]methyl]-2-methylbenzoate
CID 90419409
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
CID 147207878
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
CID 147207879
5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid
CID 148052112
5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid
CID 148052113
5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid
CID 157170984
ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate
CID 157170985
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;6-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]spiro[[1,3]oxazolo[3,4-a]indole-1,1'-cyclobutane]-3-one;6-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]spiro[[1,3]oxazolo[3,4-a]indole-1,1'-cyclobutane]-3-one;6-aminospiro[[1,3]oxazolo[3,4-a]indole-1,1'-cyclobutane]-3-one;tert-butyl 2-(3-oxospiro[[1,3]oxazolo[3,4-a]indole-1,1'-cyclobutane]-6-yl)acetate;5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 157565482

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
The IUPAC name of 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate (CID 157170983) is 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate.
What is the SMILES notation for 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
The canonical SMILES for 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(CC(=O)C(CCOC)n3cc(OC)c(-c4cc(Cl)ccc4C(C)=O)cc3=O)ccc2[nH]1.COCCC(C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.COCC[C@@H](C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.COCC[C@H](C(=O)Cc1ccc2[nH]c(C(=O)O)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C(C)=O)cc1=O.
What is the InChIKey of 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
The InChIKey is ANLOMSIGHZNGOY-YBSFCVDXSA-N. The full InChI is InChI=1S/C31H31ClN2O7.3C29H27ClN2O7/c1-5-41-31(38)26-14-20-12-19(6-9-25(20)33-26)13-28(36)27(10-11-39-3)34-17-29(40-4)24(16-30(34)37)23-15-21(32)7-8-22(23)18(2)35;3*1-16(33)20-6-5-19(30)13-21(20)22-14-28(35)32(15-27(22)39-3)25(8-9-38-2)26(34)11-17-4-7-23-18(10-17)12-24(31-23)29(36)37/h6-9,12,14-17,27,33H,5,10-11,13H2,1-4H3;3*4-7,10,12-15,25,31H,8-9,11H2,1-3H3,(H,36,37)/t;2*25-;/m.10./s1.
What are the key properties of 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate?
5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate has a molecular weight of 2232.03 g/mol, XLogP of 20.27, 45 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylic acid;ethyl 5-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 157170983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).