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

C26H21N5O5 — CID 46190104

IUPAC(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(Cc3cccnc3)C1=O)C2
InChIInChI=1S/C26H21N5O5/c1-35-19-5-4-17-14-30(23(32)20(17)10-19)15-26(22-9-18-12-28-8-6-21(18)36-22)24(33)31(25(34)29-26)13-16-3-2-7-27-11-16/h2-12H,13-15H2,1H3,(H,29,34)/t26-/m0/s1
InChIKeyBKONFXFTICTNJU-SANMLTNESA-N
MW483.48 g/mol
LogP2.83
Rot. Bonds6

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

(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 46190104) has the molecular formula C26H21N5O5 and a molecular weight of 483.48 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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID46190104
Molecular FormulaC26H21N5O5
Molecular Weight483.48 g/mol
Exact Mass483.15
IUPAC Name(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(Cc3cccnc3)C1=O)C2
InChIInChI=1S/C26H21N5O5/c1-35-19-5-4-17-14-30(23(32)20(17)10-19)15-26(22-9-18-12-28-8-6-21(18)36-22)24(33)31(25(34)29-26)13-16-3-2-7-27-11-16/h2-12H,13-15H2,1H3,(H,29,34)/t26-/m0/s1
InChIKeyBKONFXFTICTNJU-SANMLTNESA-N
XLogP2.83
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)imidazolidine-2,4-dione (CID 46190104) is (5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnccc4o3)NC(=O)N(Cc3cccnc3)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-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is BKONFXFTICTNJU-SANMLTNESA-N. The full InChI is InChI=1S/C26H21N5O5/c1-35-19-5-4-17-14-30(23(32)20(17)10-19)15-26(22-9-18-12-28-8-6-21(18)36-22)24(33)31(25(34)29-26)13-16-3-2-7-27-11-16/h2-12H,13-15H2,1H3,(H,29,34)/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-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 483.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(pyridin-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 46190104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).