1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C19H24N4O — CID 95569893

IUPAC1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H24N4O/c1-14-10-15-6-3-4-7-18(15)23(14)19(24)13-22-9-5-8-17(22)16-11-20-21(2)12-16/h3-4,6-7,11-12,14,17H,5,8-10,13H2,1-2H3/t14-,17+/m0/s1
InChIKeyKARQVCNNCKLSCT-WMLDXEAASA-N
MW324.43 g/mol
LogP2.53
Rot. Bonds3

About 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95569893) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95569893
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H24N4O/c1-14-10-15-6-3-4-7-18(15)23(14)19(24)13-22-9-5-8-17(22)16-11-20-21(2)12-16/h3-4,6-7,11-12,14,17H,5,8-10,13H2,1-2H3/t14-,17+/m0/s1
InChIKeyKARQVCNNCKLSCT-WMLDXEAASA-N
XLogP2.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95569893) is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]1c1cnn(C)c1.
What is the InChIKey of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is KARQVCNNCKLSCT-WMLDXEAASA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-10-15-6-3-4-7-18(15)23(14)19(24)13-22-9-5-8-17(22)16-11-20-21(2)12-16/h3-4,6-7,11-12,14,17H,5,8-10,13H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 324.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95569893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).