5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C35H32N4O7 — CID 71285138

IUPAC5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)Oc2c(CC)c(-c3ccc4c(ccn4C)c3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1
InChIInChI=1S/C35H32N4O7/c1-4-19-18-25(32(41)36-29(19)22-7-9-27-21(17-22)11-13-39(27)14-15-40)35(45)46-31-24(5-2)30(37-33(42)28(31)34(43)44)23-6-8-26-20(16-23)10-12-38(26)3/h6-13,16-18,40H,4-5,14-15H2,1-3H3,(H,36,41)(H,37,42)(H,43,44)
InChIKeyGJIZNARDMVRTSX-UHFFFAOYSA-N
MW620.66 g/mol
LogP4.88
Rot. Bonds9

About 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285138) has the molecular formula C35H32N4O7 and a molecular weight of 620.66 g/mol. Its IUPAC name is 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71285138
Molecular FormulaC35H32N4O7
Molecular Weight620.66 g/mol
Exact Mass620.23
IUPAC Name5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)Oc2c(CC)c(-c3ccc4c(ccn4C)c3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1
InChIInChI=1S/C35H32N4O7/c1-4-19-18-25(32(41)36-29(19)22-7-9-27-21(17-22)11-13-39(27)14-15-40)35(45)46-31-24(5-2)30(37-33(42)28(31)34(43)44)23-6-8-26-20(16-23)10-12-38(26)3/h6-13,16-18,40H,4-5,14-15H2,1-3H3,(H,36,41)(H,37,42)(H,43,44)
InChIKeyGJIZNARDMVRTSX-UHFFFAOYSA-N
XLogP4.88
TPSA159.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.66
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-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-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285138) is 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)Oc2c(CC)c(-c3ccc4c(ccn4C)c3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1.
What is the InChIKey of 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GJIZNARDMVRTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O7/c1-4-19-18-25(32(41)36-29(19)22-7-9-27-21(17-22)11-13-39(27)14-15-40)35(45)46-31-24(5-2)30(37-33(42)28(31)34(43)44)23-6-8-26-20(16-23)10-12-38(26)3/h6-13,16-18,40H,4-5,14-15H2,1-3H3,(H,36,41)(H,37,42)(H,43,44).
What are the key properties of 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 620.66 g/mol, XLogP of 4.88, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).