2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide

About 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide

2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 167230778) has the molecular formula C23H20F2N4O4 and a molecular weight of 454.43 g/mol. Its IUPAC name is 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name	2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
PubChem CID	167230778
Molecular Formula	C23H20F2N4O4
Molecular Weight	454.43 g/mol
Exact Mass	454.15
IUPAC Name	2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
SMILES	O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4F)C4(F)CC4)ccc3C2=O)C(=O)N1
InChI	InChI=1S/C23H20F2N4O4/c24-15-2-1-9-26-18(15)19(23(25)7-8-23)28-20(31)12-3-4-14-13(10-12)11-29(22(14)33)16-5-6-17(30)27-21(16)32/h1-4,9-10,16,19H,5-8,11H2,(H,28,31)(H,27,30,32)/t16-,19+/m0/s1
InChIKey	KLOTYESLPRWVIE-QFBILLFUSA-N
XLogP	1.95
TPSA	108.47 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.43
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?

The IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide (CID 167230778) is 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide.

What is the SMILES notation for 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?

The canonical SMILES for 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide is O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4F)C4(F)CC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?

The InChIKey is KLOTYESLPRWVIE-QFBILLFUSA-N. The full InChI is InChI=1S/C23H20F2N4O4/c24-15-2-1-9-26-18(15)19(23(25)7-8-23)28-20(31)12-3-4-14-13(10-12)11-29(22(14)33)16-5-6-17(30)27-21(16)32/h1-4,9-10,16,19H,5-8,11H2,(H,28,31)(H,27,30,32)/t16-,19+/m0/s1.

What are the key properties of 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?

2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 454.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 167230778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).