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

C24H26FN5O3 — CID 169310193

IUPAC3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNc1ncccc1CN1CCC(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3)CC1
InChIInChI=1S/C24H26FN5O3/c25-19-11-18-16(13-30(24(18)33)20-3-4-21(31)28-23(20)32)10-17(19)14-5-8-29(9-6-14)12-15-2-1-7-27-22(15)26/h1-2,7,10-11,14,20H,3-6,8-9,12-13H2,(H2,26,27)(H,28,31,32)
InChIKeyXJLPUALQKIREJK-UHFFFAOYSA-N
MW451.50 g/mol
LogP1.94
Rot. Bonds4

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

3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169310193) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID169310193
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNc1ncccc1CN1CCC(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3)CC1
InChIInChI=1S/C24H26FN5O3/c25-19-11-18-16(13-30(24(18)33)20-3-4-21(31)28-23(20)32)10-17(19)14-5-8-29(9-6-14)12-15-2-1-7-27-22(15)26/h1-2,7,10-11,14,20H,3-6,8-9,12-13H2,(H2,26,27)(H,28,31,32)
InChIKeyXJLPUALQKIREJK-UHFFFAOYSA-N
XLogP1.94
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-fluoro-6-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309648
3-[6-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309755
3-[5-fluoro-6-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309982
3-[5-fluoro-3-oxo-6-[1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310028
3-[5-fluoro-6-[1-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309985
3-[5-fluoro-3-oxo-6-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311627
3-[6-[1-[(4-cyclopropylphenyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311425
3-[5-fluoro-6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310630
2-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]pyridine-4-carbonitrile
CID 169311516
3-[5-fluoro-6-[1-[(4-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309673
3-[5-fluoro-3-oxo-6-[1-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310547
3-[6-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311307

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169310193) is 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Nc1ncccc1CN1CCC(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3)CC1.
What is the InChIKey of 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is XJLPUALQKIREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-19-11-18-16(13-30(24(18)33)20-3-4-21(31)28-23(20)32)10-17(19)14-5-8-29(9-6-14)12-15-2-1-7-27-22(15)26/h1-2,7,10-11,14,20H,3-6,8-9,12-13H2,(H2,26,27)(H,28,31,32).
What are the key properties of 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 451.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169310193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).