[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone

C23H27FN2O — CID 70909463

IUPAC[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone
SMILESC[C@@H]1CC[C@H](CCc2ccc(F)cc2)N1C(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C23H27FN2O/c1-16-3-10-21(11-6-17-4-8-20(24)9-5-17)26(16)23(27)19-7-12-22-18(15-19)13-14-25(22)2/h4-5,7-9,12,15-16,21H,3,6,10-11,13-14H2,1-2H3/t16-,21-/m1/s1
InChIKeyDKTKBIVWLSPISP-IIBYNOLFSA-N
MW366.48 g/mol
LogP4.44
Rot. Bonds4

About [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone

[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone (PubChem CID 70909463) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone
PubChem CID70909463
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone
SMILESC[C@@H]1CC[C@H](CCc2ccc(F)cc2)N1C(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C23H27FN2O/c1-16-3-10-21(11-6-17-4-8-20(24)9-5-17)26(16)23(27)19-7-12-22-18(15-19)13-14-25(22)2/h4-5,7-9,12,15-16,21H,3,6,10-11,13-14H2,1-2H3/t16-,21-/m1/s1
InChIKeyDKTKBIVWLSPISP-IIBYNOLFSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone 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,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 70909466
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 110093431
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
[(2R,5S)-2-methyl-5-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]-[4-(thietan-3-yloxy)phenyl]methanone
CID 70909271
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 42522581
[(2S,5R)-2-[2-(3,4-difluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-piperidin-1-ylmethanone
CID 70897365
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyrrol-1-ylmethanone
CID 22037988
methyl 5-methyl-4-(1-methyl-2,3-dihydroindole-6-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-2-carboxylate
CID 136540864
4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzaldehyde
CID 87553068
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone?
The IUPAC name of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone (CID 70909463) is [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone.
What is the SMILES notation for [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone?
The canonical SMILES for [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone is C[C@@H]1CC[C@H](CCc2ccc(F)cc2)N1C(=O)c1ccc2c(c1)CCN2C.
What is the InChIKey of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone?
The InChIKey is DKTKBIVWLSPISP-IIBYNOLFSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-16-3-10-21(11-6-17-4-8-20(24)9-5-17)26(16)23(27)19-7-12-22-18(15-19)13-14-25(22)2/h4-5,7-9,12,15-16,21H,3,6,10-11,13-14H2,1-2H3/t16-,21-/m1/s1.
What are the key properties of [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone?
[(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone has a molecular weight of 366.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-1-yl]-(1-methyl-2,3-dihydroindol-5-yl)methanone is sourced from PubChem (CID 70909463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).