5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C22H25N3O4 — CID 71284781

IUPAC5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3cc4n(c3c2)CC(N(C)CC)C4)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C22H25N3O4/c1-4-16-19(23-21(27)18(20(16)26)22(28)29)13-7-6-12-8-14-10-15(24(3)5-2)11-25(14)17(12)9-13/h6-9,15H,4-5,10-11H2,1-3H3,(H,28,29)(H2,23,26,27)
InChIKeyKCWNMJOTOLWPBV-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.84
Rot. Bonds5

About 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284781) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284781
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3cc4n(c3c2)CC(N(C)CC)C4)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C22H25N3O4/c1-4-16-19(23-21(27)18(20(16)26)22(28)29)13-7-6-12-8-14-10-15(24(3)5-2)11-25(14)17(12)9-13/h6-9,15H,4-5,10-11H2,1-3H3,(H,28,29)(H2,23,26,27)
InChIKeyKCWNMJOTOLWPBV-UHFFFAOYSA-N
XLogP2.84
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284781) is 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3cc4n(c3c2)CC(N(C)CC)C4)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is KCWNMJOTOLWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-16-19(23-21(27)18(20(16)26)22(28)29)13-7-6-12-8-14-10-15(24(3)5-2)11-25(14)17(12)9-13/h6-9,15H,4-5,10-11H2,1-3H3,(H,28,29)(H2,23,26,27).
What are the key properties of 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).