(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione

C23H20N6O6 — CID 46198901

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(N5CCNC5=O)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H20N6O6/c1-34-14-3-2-12-10-28(19(30)15(12)7-14)11-23(20(31)26-21(32)27-23)17-6-13-9-25-18(8-16(13)35-17)29-5-4-24-22(29)33/h2-3,6-9H,4-5,10-11H2,1H3,(H,24,33)(H2,26,27,31,32)/t23-/m0/s1
InChIKeyHPSHJAHKADCQMX-QHCPKHFHSA-N
MW476.45 g/mol
LogP1.06
Rot. Bonds5

About (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 46198901) has the molecular formula C23H20N6O6 and a molecular weight of 476.45 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID46198901
Molecular FormulaC23H20N6O6
Molecular Weight476.45 g/mol
Exact Mass476.14
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(N5CCNC5=O)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H20N6O6/c1-34-14-3-2-12-10-28(19(30)15(12)7-14)11-23(20(31)26-21(32)27-23)17-6-13-9-25-18(8-16(13)35-17)29-5-4-24-22(29)33/h2-3,6-9H,4-5,10-11H2,1H3,(H,24,33)(H2,26,27,31,32)/t23-/m0/s1
InChIKeyHPSHJAHKADCQMX-QHCPKHFHSA-N
XLogP1.06
TPSA146.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione (CID 46198901) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(N5CCNC5=O)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is HPSHJAHKADCQMX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N6O6/c1-34-14-3-2-12-10-28(19(30)15(12)7-14)11-23(20(31)26-21(32)27-23)17-6-13-9-25-18(8-16(13)35-17)29-5-4-24-22(29)33/h2-3,6-9H,4-5,10-11H2,1H3,(H,24,33)(H2,26,27,31,32)/t23-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 476.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-(2-oxoimidazolidin-1-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 46198901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).