3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H25N5O4 — CID 170708255

IUPAC3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(O[C@H]4CCN(Cc5cc6cnccc6cn5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H25N5O4/c32-24-4-3-23(25(33)29-24)31-13-18-10-20(1-2-22(18)26(31)34)35-21-6-8-30(15-21)14-19-9-17-11-27-7-5-16(17)12-28-19/h1-2,5,7,9-12,21,23H,3-4,6,8,13-15H2,(H,29,32,33)/t21-,23?/m0/s1
InChIKeyKYHRXJFLOWLIPG-BBQAJUCSSA-N
MW471.52 g/mol
LogP2.04
Rot. Bonds5

About 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170708255) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170708255
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(O[C@H]4CCN(Cc5cc6cnccc6cn5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H25N5O4/c32-24-4-3-23(25(33)29-24)31-13-18-10-20(1-2-22(18)26(31)34)35-21-6-8-30(15-21)14-19-9-17-11-27-7-5-16(17)12-28-19/h1-2,5,7,9-12,21,23H,3-4,6,8,13-15H2,(H,29,32,33)/t21-,23?/m0/s1
InChIKeyKYHRXJFLOWLIPG-BBQAJUCSSA-N
XLogP2.04
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[6-[(3S)-1-(isoquinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174197860
3-[6-[(3S)-1-(1,6-naphthyridin-7-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174196717
3-[6-[(3S)-1-[[7-(2-methoxypropan-2-yl)isoquinolin-3-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708472
3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708311
3-[3-oxo-6-[(3S)-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174196984
3-[6-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170940573
3-[6-[(3S)-1-[(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708354
(3R)-3-[6-[(3S)-1-[(2-morpholin-4-ylquinazolin-6-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707772
3-[6-[(3S)-1-[[3-[[4-(aminomethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170940503
3-[6-[(3S)-1-[[2-(oxan-4-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707886
3-[3-oxo-6-[1-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707831
3-[6-[(3S)-1-[(5-methylquinolin-3-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707849

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170708255) is 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(O[C@H]4CCN(Cc5cc6cnccc6cn5)C4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KYHRXJFLOWLIPG-BBQAJUCSSA-N. The full InChI is InChI=1S/C26H25N5O4/c32-24-4-3-23(25(33)29-24)31-13-18-10-20(1-2-22(18)26(31)34)35-21-6-8-30(15-21)14-19-9-17-11-27-7-5-16(17)12-28-19/h1-2,5,7,9-12,21,23H,3-4,6,8,13-15H2,(H,29,32,33)/t21-,23?/m0/s1.
What are the key properties of 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 471.52 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-(2,6-naphthyridin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170708255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).