(3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

About (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

(3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201123) has the molecular formula C32H33N5O5 and a molecular weight of 567.65 g/mol. Its IUPAC name is (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	(3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
PubChem CID	169201123
Molecular Formula	C32H33N5O5
Molecular Weight	567.65 g/mol
Exact Mass	567.25
IUPAC Name	(3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
SMILES	O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cccc(-c5cnn(C6COC6)c5)c4)CC3)C2=O)C(=O)N1
InChI	InChI=1S/C32H33N5O5/c38-28-7-6-27(30(39)34-28)36-16-25-24(31(36)40)4-5-26-29(25)42-19-32(26)8-10-35(11-9-32)14-20-2-1-3-21(12-20)22-13-33-37(15-22)23-17-41-18-23/h1-5,12-13,15,23,27H,6-11,14,16-19H2,(H,34,38,39)/t27-/m0/s1
InChIKey	WHGNEORFOLCLQZ-MHZLTWQESA-N
XLogP	2.81
TPSA	106.00 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.65
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The IUPAC name of (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 169201123) is (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

What is the SMILES notation for (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The canonical SMILES for (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cccc(-c5cnn(C6COC6)c5)c4)CC3)C2=O)C(=O)N1.

What is the InChIKey of (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The InChIKey is WHGNEORFOLCLQZ-MHZLTWQESA-N. The full InChI is InChI=1S/C32H33N5O5/c38-28-7-6-27(30(39)34-28)36-16-25-24(31(36)40)4-5-26-29(25)42-19-32(26)8-10-35(11-9-32)14-20-2-1-3-21(12-20)22-13-33-37(15-22)23-17-41-18-23/h1-5,12-13,15,23,27H,6-11,14,16-19H2,(H,34,38,39)/t27-/m0/s1.

What are the key properties of (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

(3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 567.65 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[1'-[[3-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).