3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H19FN4O3 — CID 165386827

IUPAC3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCc1cc(-c2ccc3c(c2)[C@H](C)N(C2CCC(=O)NC2=O)C3=O)nc(N)c1F
InChIInChI=1S/C20H19FN4O3/c1-9-7-14(23-18(22)17(9)21)11-3-4-12-13(8-11)10(2)25(20(12)28)15-5-6-16(26)24-19(15)27/h3-4,7-8,10,15H,5-6H2,1-2H3,(H2,22,23)(H,24,26,27)/t10-,15?/m0/s1
InChIKeyAPAQBJVRIRJRPI-MYHCZTBNSA-N
MW382.40 g/mol
LogP2.10
Rot. Bonds2

About 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165386827) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID165386827
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCc1cc(-c2ccc3c(c2)[C@H](C)N(C2CCC(=O)NC2=O)C3=O)nc(N)c1F
InChIInChI=1S/C20H19FN4O3/c1-9-7-14(23-18(22)17(9)21)11-3-4-12-13(8-11)10(2)25(20(12)28)15-5-6-16(26)24-19(15)27/h3-4,7-8,10,15H,5-6H2,1-2H3,(H2,22,23)(H,24,26,27)/t10-,15?/m0/s1
InChIKeyAPAQBJVRIRJRPI-MYHCZTBNSA-N
XLogP2.10
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165386827) is 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1cc(-c2ccc3c(c2)[C@H](C)N(C2CCC(=O)NC2=O)C3=O)nc(N)c1F.
What is the InChIKey of 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is APAQBJVRIRJRPI-MYHCZTBNSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-9-7-14(23-18(22)17(9)21)11-3-4-12-13(8-11)10(2)25(20(12)28)15-5-6-16(26)24-19(15)27/h3-4,7-8,10,15H,5-6H2,1-2H3,(H2,22,23)(H,24,26,27)/t10-,15?/m0/s1.
What are the key properties of 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 382.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-6-(6-amino-5-fluoro-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165386827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).