(4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one

C23H23N3O2 — CID 96544197

IUPAC(4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-25-21(27)13-17(22(25)15-7-3-2-4-8-15)23(28)26-12-11-20-18(14-26)16-9-5-6-10-19(16)24-20/h2-10,17,22,24H,11-14H2,1H3/t17-,22+/m1/s1
InChIKeyAANAQISJGPHYDG-VGSWGCGISA-N
MW373.46 g/mol
LogP3.27
Rot. Bonds2

About (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one

(4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one (PubChem CID 96544197) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
PubChem CID96544197
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-25-21(27)13-17(22(25)15-7-3-2-4-8-15)23(28)26-12-11-20-18(14-26)16-9-5-6-10-19(16)24-20/h2-10,17,22,24H,11-14H2,1H3/t17-,22+/m1/s1
InChIKeyAANAQISJGPHYDG-VGSWGCGISA-N
XLogP3.27
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-3,4-dihydroisochromen-1-one
CID 42934976
2,2-dimethyl-1-[2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 55572930
(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
CID 26318760
1-(3-methoxyphenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 42946859
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
2-methyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)isoquinolin-1-one
CID 46981603
[(2S)-1-methylsulfonylpiperidin-2-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 51649026
[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 7094073
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
1-(pyridin-2-ylmethyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 72936405
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one (CID 96544197) is (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one is CN1C(=O)C[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one?
The InChIKey is AANAQISJGPHYDG-VGSWGCGISA-N. The full InChI is InChI=1S/C23H23N3O2/c1-25-21(27)13-17(22(25)15-7-3-2-4-8-15)23(28)26-12-11-20-18(14-26)16-9-5-6-10-19(16)24-20/h2-10,17,22,24H,11-14H2,1H3/t17-,22+/m1/s1.
What are the key properties of (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one?
(4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 96544197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).