2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile

C23H20N4O2 — CID 30465959

IUPAC2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile
SMILESN#CCn1c2c(c3ccccc31)CCN([C@@H]1CC(=O)N(c3ccccc3)C1=O)C2
InChIInChI=1S/C23H20N4O2/c24-11-13-26-19-9-5-4-8-17(19)18-10-12-25(15-21(18)26)20-14-22(28)27(23(20)29)16-6-2-1-3-7-16/h1-9,20H,10,12-15H2/t20-/m1/s1
InChIKeyIRFGPMKEEWPYBR-HXUWFJFHSA-N
MW384.44 g/mol
LogP2.86
Rot. Bonds3

About 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile

2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile (PubChem CID 30465959) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile
PubChem CID30465959
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile
SMILESN#CCn1c2c(c3ccccc31)CCN([C@@H]1CC(=O)N(c3ccccc3)C1=O)C2
InChIInChI=1S/C23H20N4O2/c24-11-13-26-19-9-5-4-8-17(19)18-10-12-25(15-21(18)26)20-14-22(28)27(23(20)29)16-6-2-1-3-7-16/h1-9,20H,10,12-15H2/t20-/m1/s1
InChIKeyIRFGPMKEEWPYBR-HXUWFJFHSA-N
XLogP2.86
TPSA69.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]propanenitrile
CID 30465962
(3R)-1-phenyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 30465890
(3S)-1-(4-chlorophenyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 38054808
1-(4-methylphenyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 43832992
(3S)-1-(4-propan-2-ylphenyl)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrrolidine-2,5-dione
CID 51897331
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43861092
(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 950928
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 698856
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7279287
1-(4-phenylsulfanylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220406

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile?
The IUPAC name of 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile (CID 30465959) is 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile?
The canonical SMILES for 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile is N#CCn1c2c(c3ccccc31)CCN([C@@H]1CC(=O)N(c3ccccc3)C1=O)C2.
What is the InChIKey of 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile?
The InChIKey is IRFGPMKEEWPYBR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-11-13-26-19-9-5-4-8-17(19)18-10-12-25(15-21(18)26)20-14-22(28)27(23(20)29)16-6-2-1-3-7-16/h1-9,20H,10,12-15H2/t20-/m1/s1.
What are the key properties of 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile?
2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile has a molecular weight of 384.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]acetonitrile is sourced from PubChem (CID 30465959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).