1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid

C22H17ClN2O3 — CID 110128888

IUPAC1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CC(c2ccccc2Cl)c2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C22H17ClN2O3/c23-19-9-3-1-6-14(19)18(17-12-24-20-10-4-2-7-15(17)20)13-25-11-5-8-16(21(25)26)22(27)28/h1-12,18,24H,13H2,(H,27,28)
InChIKeyWHBKGIWKAWULTH-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid

1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 110128888) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID110128888
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CC(c2ccccc2Cl)c2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C22H17ClN2O3/c23-19-9-3-1-6-14(19)18(17-12-24-20-10-4-2-7-15(17)20)13-25-11-5-8-16(21(25)26)22(27)28/h1-12,18,24H,13H2,(H,27,28)
InChIKeyWHBKGIWKAWULTH-UHFFFAOYSA-N
XLogP4.51
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
CID 45101575
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 39972306
[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645167
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645172
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645174
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645145

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid (CID 110128888) is 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(CC(c2ccccc2Cl)c2c[nH]c3ccccc23)c1=O.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is WHBKGIWKAWULTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-19-9-3-1-6-14(19)18(17-12-24-20-10-4-2-7-15(17)20)13-25-11-5-8-16(21(25)26)22(27)28/h1-12,18,24H,13H2,(H,27,28).
What are the key properties of 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 392.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 110128888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).