3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C23H23F3N4O — CID 147542895

IUPAC3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCN(CC(F)(F)F)C2)C(=O)C4)ccn1
InChIInChI=1S/C23H23F3N4O/c1-14-6-15(2-4-27-14)22-20-8-18-11-30(19-3-5-29(12-19)13-23(24,25)26)21(31)9-16(18)7-17(20)10-28-22/h2,4,6-8,19H,3,5,9-13H2,1H3/t19-/m1/s1
InChIKeyFPGOWVHQYAWFHD-LJQANCHMSA-N
MW428.46 g/mol
LogP3.26
Rot. Bonds3

About 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 147542895) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID147542895
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCN(CC(F)(F)F)C2)C(=O)C4)ccn1
InChIInChI=1S/C23H23F3N4O/c1-14-6-15(2-4-27-14)22-20-8-18-11-30(19-3-5-29(12-19)13-23(24,25)26)21(31)9-16(18)7-17(20)10-28-22/h2,4,6-8,19H,3,5,9-13H2,1H3/t19-/m1/s1
InChIKeyFPGOWVHQYAWFHD-LJQANCHMSA-N
XLogP3.26
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one 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

(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyridin-2-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895813
(2-Methyl-pyridin-3-yl)-[4-(3-phenyl-3-pyrrolidin-1-yl-propionyl)-piperazin-1-yl]-acetonitrile
CID 9979382
(2-Methyl-pyridin-3-yl)-[4-(4,4,4-trifluoro-3-phenyl-butyryl)-piperazin-1-yl]-acetonitrile
CID 10364589
6-Pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 25217893
3-oxo-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
CID 73603315
N-[(3S,4R)-4-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 146643591
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 49781929
2,2-Dimethyl-1-[4-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 56675904
[4-(4-Methyl-2-pyridinyl)phenyl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 122189050
4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 137650115
2-[4-(dimethylamino)phenyl]-N-[(3S,4R)-4-[6-(1,1,2,2,2-pentafluoroethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 162644729
2-[4-(dimethylamino)phenyl]-N-[(3R,4S)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 162661634

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 147542895) is 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCN(CC(F)(F)F)C2)C(=O)C4)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is FPGOWVHQYAWFHD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-14-6-15(2-4-27-14)22-20-8-18-11-30(19-3-5-29(12-19)13-23(24,25)26)21(31)9-16(18)7-17(20)10-28-22/h2,4,6-8,19H,3,5,9-13H2,1H3/t19-/m1/s1.
What are the key properties of 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 428.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 147542895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).