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

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

N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 167230602) has the molecular formula C24H22ClFN4O4 and a molecular weight of 484.92 g/mol. Its IUPAC name is N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name	N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
PubChem CID	167230602
Molecular Formula	C24H22ClFN4O4
Molecular Weight	484.92 g/mol
Exact Mass	484.13
IUPAC Name	N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
SMILES	O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncc(F)cc4Cl)C4CCC4)ccc3C2=O)C(=O)N1
InChI	InChI=1S/C24H22ClFN4O4/c25-17-9-15(26)10-27-21(17)20(12-2-1-3-12)29-22(32)13-4-5-16-14(8-13)11-30(24(16)34)18-6-7-19(31)28-23(18)33/h4-5,8-10,12,18,20H,1-3,6-7,11H2,(H,29,32)(H,28,31,33)/t18-,20-/m0/s1
InChIKey	CPCRKPFDMZFWEU-ICSRJNTNSA-N
XLogP	2.91
TPSA	108.47 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.92
LogP ≤ 5	2.91
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 N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide?

The IUPAC name of N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide (CID 167230602) is N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide.

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

The canonical SMILES for N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide is O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncc(F)cc4Cl)C4CCC4)ccc3C2=O)C(=O)N1.

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

The InChIKey is CPCRKPFDMZFWEU-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H22ClFN4O4/c25-17-9-15(26)10-27-21(17)20(12-2-1-3-12)29-22(32)13-4-5-16-14(8-13)11-30(24(16)34)18-6-7-19(31)28-23(18)33/h4-5,8-10,12,18,20H,1-3,6-7,11H2,(H,29,32)(H,28,31,33)/t18-,20-/m0/s1.

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

N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 484.92 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 167230602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).