(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

C26H27N5O6 — CID 46190106

IUPAC(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(CCN3CCOCC3)C1=O)C2
InChIInChI=1S/C26H27N5O6/c1-35-19-3-2-17-15-30(23(32)20(17)13-19)16-26(22-12-18-14-27-5-4-21(18)37-22)24(33)31(25(34)28-26)7-6-29-8-10-36-11-9-29/h2-5,12-14H,6-11,15-16H2,1H3,(H,28,34)/t26-/m0/s1
InChIKeyZNUUJDXWMZPQRP-SANMLTNESA-N
MW505.53 g/mol
LogP1.57
Rot. Bonds7

About (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 46190106) has the molecular formula C26H27N5O6 and a molecular weight of 505.53 g/mol. Its IUPAC name is (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
PubChem CID46190106
Molecular FormulaC26H27N5O6
Molecular Weight505.53 g/mol
Exact Mass505.20
IUPAC Name(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(CCN3CCOCC3)C1=O)C2
InChIInChI=1S/C26H27N5O6/c1-35-19-3-2-17-15-30(23(32)20(17)13-19)16-26(22-12-18-14-27-5-4-21(18)37-22)24(33)31(25(34)28-26)7-6-29-8-10-36-11-9-29/h2-5,12-14H,6-11,15-16H2,1H3,(H,28,34)/t26-/m0/s1
InChIKeyZNUUJDXWMZPQRP-SANMLTNESA-N
XLogP1.57
TPSA117.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (CID 46190106) is (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(CCN3CCOCC3)C1=O)C2.
What is the InChIKey of (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The InChIKey is ZNUUJDXWMZPQRP-SANMLTNESA-N. The full InChI is InChI=1S/C26H27N5O6/c1-35-19-3-2-17-15-30(23(32)20(17)13-19)16-26(22-12-18-14-27-5-4-21(18)37-22)24(33)31(25(34)28-26)7-6-29-8-10-36-11-9-29/h2-5,12-14H,6-11,15-16H2,1H3,(H,28,34)/t26-/m0/s1.
What are the key properties of (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 505.53 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 46190106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).