(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

C19H19N3O3 — CID 95114134

IUPAC(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C(C[C@H]1c2ncccc2C(=O)N1c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H19N3O3/c23-17(21-9-11-25-12-10-21)13-16-18-15(7-4-8-20-18)19(24)22(16)14-5-2-1-3-6-14/h1-8,16H,9-13H2/t16-/m0/s1
InChIKeyVCUUTFXUTNGMHY-INIZCTEOSA-N
MW337.38 g/mol
LogP2.03
Rot. Bonds3

About (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 95114134) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID95114134
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C(C[C@H]1c2ncccc2C(=O)N1c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H19N3O3/c23-17(21-9-11-25-12-10-21)13-16-18-15(7-4-8-20-18)19(24)22(16)14-5-2-1-3-6-14/h1-8,16H,9-13H2/t16-/m0/s1
InChIKeyVCUUTFXUTNGMHY-INIZCTEOSA-N
XLogP2.03
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

7-[2-(azepan-1-yl)-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839582
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
CID 53213909
(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114121
(7R)-6-(4-methylphenyl)-7-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114135
7-[2-(azepan-1-yl)-2-oxoethyl]-6-(3-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839473
6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839530
N-[(4-methylphenyl)methyl]-2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetamide
CID 71839590
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
N-cyclohexyl-2-[6-(4-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 53201079
N-butan-2-yl-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839557
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N-cyclohexylacetamide
CID 53201076
N-[(4-methylphenyl)methyl]-2-[6-(4-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839544

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 95114134) is (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is O=C(C[C@H]1c2ncccc2C(=O)N1c1ccccc1)N1CCOCC1.
What is the InChIKey of (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is VCUUTFXUTNGMHY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17(21-9-11-25-12-10-21)13-16-18-15(7-4-8-20-18)19(24)22(16)14-5-2-1-3-6-14/h1-8,16H,9-13H2/t16-/m0/s1.
What are the key properties of (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 337.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 95114134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).