3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H30N4O4 — CID 174189190

IUPAC3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)(O)C1CCN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2)C1
InChIInChI=1S/C26H30N4O4/c1-26(2,34)19-8-10-29(15-19)13-16-7-9-27-21(11-16)17-3-4-20-18(12-17)14-30(25(20)33)22-5-6-23(31)28-24(22)32/h3-4,7,9,11-12,19,22,34H,5-6,8,10,13-15H2,1-2H3,(H,28,31,32)
InChIKeyHNUQTIHMIIVSDT-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.10
Rot. Bonds5

About 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 174189190) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID174189190
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)(O)C1CCN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2)C1
InChIInChI=1S/C26H30N4O4/c1-26(2,34)19-8-10-29(15-19)13-16-7-9-27-21(11-16)17-3-4-20-18(12-17)14-30(25(20)33)22-5-6-23(31)28-24(22)32/h3-4,7,9,11-12,19,22,34H,5-6,8,10,13-15H2,1-2H3,(H,28,31,32)
InChIKeyHNUQTIHMIIVSDT-UHFFFAOYSA-N
XLogP2.10
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.10
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-[6-[4-[[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649555
3-[6-[4-[[3-(aminomethyl)azetidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403405
3-[6-[4-[[3-(aminomethyl)azetidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 170695390
3-[6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649435
3-[6-[3-chloro-4-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403320
[1-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]azetidin-3-yl]methanesulfinate
CID 174189129
3-[3-oxo-6-[4-[(3-thiophen-3-ylazetidin-1-yl)methyl]-2-pyridinyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649427
3-[5-[[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737171
3-[3-oxo-6-[4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649426
(3S)-3-[6-[4-[(5-hydroxy-1H-cyclopenta[c]pyrrol-2-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175508787
tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate
CID 165403375
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione
CID 165403461

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 174189190) is 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)(O)C1CCN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2)C1.
What is the InChIKey of 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is HNUQTIHMIIVSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-26(2,34)19-8-10-29(15-19)13-16-7-9-27-21(11-16)17-3-4-20-18(12-17)14-30(25(20)33)22-5-6-23(31)28-24(22)32/h3-4,7,9,11-12,19,22,34H,5-6,8,10,13-15H2,1-2H3,(H,28,31,32).
What are the key properties of 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 462.55 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 174189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).