(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

C23H23N3O3 — CID 92714039

IUPAC(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCc1ccccc1N[C@@H]1c2ncccc2C(=O)N1c1cc(OC)ccc1OC
InChIInChI=1S/C23H23N3O3/c1-4-15-8-5-6-10-18(15)25-22-21-17(9-7-13-24-21)23(27)26(22)19-14-16(28-2)11-12-20(19)29-3/h5-14,22,25H,4H2,1-3H3/t22-/m0/s1
InChIKeyINGLITNMCWIMTF-QFIPXVFZSA-N
MW389.46 g/mol
LogP4.43
Rot. Bonds6

About (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 92714039) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID92714039
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCc1ccccc1N[C@@H]1c2ncccc2C(=O)N1c1cc(OC)ccc1OC
InChIInChI=1S/C23H23N3O3/c1-4-15-8-5-6-10-18(15)25-22-21-17(9-7-13-24-21)23(27)26(22)19-14-16(28-2)11-12-20(19)29-3/h5-14,22,25H,4H2,1-3H3/t22-/m0/s1
InChIKeyINGLITNMCWIMTF-QFIPXVFZSA-N
XLogP4.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-(2-ethylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714193
(7R)-6-(2,5-dimethoxyphenyl)-7-(4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714042
(7R)-6-(2,5-dimethoxyphenyl)-7-(5-fluoro-2-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714002
7-(5-chloro-2-methylanilino)-6-(2,5-dimethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582172
(7R)-6-(2,5-dimethoxyphenyl)-7-(3,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714008
(7R)-7-(2,4-dimethoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714585
7-(2,4-dimethoxyanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 20910356
(7S)-7-(2,4-dimethoxyanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713849
(7S)-7-(2-fluoroanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714141
7-(4-chloro-2-methoxy-5-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582242
7-(4-chloro-2-methoxy-5-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582163
6-(4-ethoxyphenyl)-7-(3-methoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582155

Frequently Asked Questions

What is the IUPAC name of (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 92714039) is (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is CCc1ccccc1N[C@@H]1c2ncccc2C(=O)N1c1cc(OC)ccc1OC.
What is the InChIKey of (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is INGLITNMCWIMTF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-15-8-5-6-10-18(15)25-22-21-17(9-7-13-24-21)23(27)26(22)19-14-16(28-2)11-12-20(19)29-3/h5-14,22,25H,4H2,1-3H3/t22-/m0/s1.
What are the key properties of (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one?
(7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 389.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 92714039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).