5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C77H56N10O17 — CID 118951152

IUPAC5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1OC(=O)c1c(OC(=O)c2c(OC(=O)c3c(OC(=O)c4c(O)c(C)c(-c5ccc6c(c5)CC(=O)N6)[nH]c4=O)c(C)c(-c4ccc5[nH]ccc5c4)[nH]c3=O)c(CC)c(-c3ccc4[nH]ccc4c3)[nH]c2=O)c(C)c(-c2ccc3cc[nH]c3c2)[nH]c1=O
InChIInChI=1S/C77H56N10O17/c1-6-45-62(43-11-9-36-19-23-81-51(36)30-43)86-69(91)54(73(95)96)66(45)103-75(98)56-65(34(5)60(85-71(56)93)42-10-8-35-18-22-80-50(35)29-42)102-77(100)57-67(46(7-2)61(87-72(57)94)41-13-16-48-38(27-41)21-25-79-48)104-76(99)55-64(33(4)59(84-70(55)92)39-12-15-47-37(26-39)20-24-78-47)101-74(97)53-63(89)32(3)58(83-68(53)90)40-14-17-49-44(28-40)31-52(88)82-49/h8-30,78-81H,6-7,31H2,1-5H3,(H,82,88)(H,84,92)(H,85,93)(H,86,91)(H,87,94)(H,95,96)(H2,83,89,90)
InChIKeyGGDVGBKPBFWZBA-UHFFFAOYSA-N
MW1393.35 g/mol
LogP11.21
Rot. Bonds16

About 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118951152) has the molecular formula C77H56N10O17 and a molecular weight of 1393.35 g/mol. Its IUPAC name is 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118951152
Molecular FormulaC77H56N10O17
Molecular Weight1393.35 g/mol
Exact Mass1392.38
IUPAC Name5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1OC(=O)c1c(OC(=O)c2c(OC(=O)c3c(OC(=O)c4c(O)c(C)c(-c5ccc6c(c5)CC(=O)N6)[nH]c4=O)c(C)c(-c4ccc5[nH]ccc5c4)[nH]c3=O)c(CC)c(-c3ccc4[nH]ccc4c3)[nH]c2=O)c(C)c(-c2ccc3cc[nH]c3c2)[nH]c1=O
InChIInChI=1S/C77H56N10O17/c1-6-45-62(43-11-9-36-19-23-81-51(36)30-43)86-69(91)54(73(95)96)66(45)103-75(98)56-65(34(5)60(85-71(56)93)42-10-8-35-18-22-80-50(35)29-42)102-77(100)57-67(46(7-2)61(87-72(57)94)41-13-16-48-38(27-41)21-25-79-48)104-76(99)55-64(33(4)59(84-70(55)92)39-12-15-47-37(26-39)20-24-78-47)101-74(97)53-63(89)32(3)58(83-68(53)90)40-14-17-49-44(28-40)31-52(88)82-49/h8-30,78-81H,6-7,31H2,1-5H3,(H,82,88)(H,84,92)(H,85,93)(H,86,91)(H,87,94)(H,95,96)(H2,83,89,90)
InChIKeyGGDVGBKPBFWZBA-UHFFFAOYSA-N
XLogP11.21
TPSA419.29 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001393.35
LogP ≤ 511.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118951152) is 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1OC(=O)c1c(OC(=O)c2c(OC(=O)c3c(OC(=O)c4c(O)c(C)c(-c5ccc6c(c5)CC(=O)N6)[nH]c4=O)c(C)c(-c4ccc5[nH]ccc5c4)[nH]c3=O)c(CC)c(-c3ccc4[nH]ccc4c3)[nH]c2=O)c(C)c(-c2ccc3cc[nH]c3c2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GGDVGBKPBFWZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56N10O17/c1-6-45-62(43-11-9-36-19-23-81-51(36)30-43)86-69(91)54(73(95)96)66(45)103-75(98)56-65(34(5)60(85-71(56)93)42-10-8-35-18-22-80-50(35)29-42)102-77(100)57-67(46(7-2)61(87-72(57)94)41-13-16-48-38(27-41)21-25-79-48)104-76(99)55-64(33(4)59(84-70(55)92)39-12-15-47-37(26-39)20-24-78-47)101-74(97)53-63(89)32(3)58(83-68(53)90)40-14-17-49-44(28-40)31-52(88)82-49/h8-30,78-81H,6-7,31H2,1-5H3,(H,82,88)(H,84,92)(H,85,93)(H,86,91)(H,87,94)(H,95,96)(H2,83,89,90).
What are the key properties of 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1393.35 g/mol, XLogP of 11.21, 16 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118951152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).