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

C22H18N6O5 — CID 70235514

IUPAC(5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3c(C4=NCCN4)nccc3o2)N1
InChIInChI=1S/C22H18N6O5/c29-12-2-1-11-9-28(19(30)13(11)7-12)10-22(20(31)26-21(32)27-22)16-8-14-15(33-16)3-4-23-17(14)18-24-5-6-25-18/h1-4,7-8,29H,5-6,9-10H2,(H,24,25)(H2,26,27,31,32)/t22-/m0/s1
InChIKeyZKZWEEHWKOPKLF-QFIPXVFZSA-N
MW446.42 g/mol
LogP0.57
Rot. Bonds4

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

(5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 70235514) has the molecular formula C22H18N6O5 and a molecular weight of 446.42 g/mol. Its IUPAC name is (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID70235514
Molecular FormulaC22H18N6O5
Molecular Weight446.42 g/mol
Exact Mass446.13
IUPAC Name(5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3c(C4=NCCN4)nccc3o2)N1
InChIInChI=1S/C22H18N6O5/c29-12-2-1-11-9-28(19(30)13(11)7-12)10-22(20(31)26-21(32)27-22)16-8-14-15(33-16)3-4-23-17(14)18-24-5-6-25-18/h1-4,7-8,29H,5-6,9-10H2,(H,24,25)(H2,26,27,31,32)/t22-/m0/s1
InChIKeyZKZWEEHWKOPKLF-QFIPXVFZSA-N
XLogP0.57
TPSA149.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 70235514) is (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cc3c(C4=NCCN4)nccc3o2)N1.
What is the InChIKey of (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZKZWEEHWKOPKLF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18N6O5/c29-12-2-1-11-9-28(19(30)13(11)7-12)10-22(20(31)26-21(32)27-22)16-8-14-15(33-16)3-4-23-17(14)18-24-5-6-25-18/h1-4,7-8,29H,5-6,9-10H2,(H,24,25)(H2,26,27,31,32)/t22-/m0/s1.
What are the key properties of (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 446.42 g/mol, XLogP of 0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70235514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).