6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide

C23H24N4O6S — CID 86590459

IUPAC6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C23H24N4O6S/c28-12-13-32-18-6-8-19(9-7-18)34(30,31)27-15-21-20(24-10-11-25-21)14-22(27)23(29)26-33-16-17-4-2-1-3-5-17/h1-11,22,28H,12-16H2,(H,26,29)
InChIKeyZSXJUGJLGBPMNT-UHFFFAOYSA-N
MW484.53 g/mol
LogP1.21
Rot. Bonds9

About 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide

6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (PubChem CID 86590459) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
PubChem CID86590459
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C23H24N4O6S/c28-12-13-32-18-6-8-19(9-7-18)34(30,31)27-15-21-20(24-10-11-25-21)14-22(27)23(29)26-33-16-17-4-2-1-3-5-17/h1-11,22,28H,12-16H2,(H,26,29)
InChIKeyZSXJUGJLGBPMNT-UHFFFAOYSA-N
XLogP1.21
TPSA130.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The IUPAC name of 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (CID 86590459) is 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is O=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc(OCCO)cc1.
What is the InChIKey of 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The InChIKey is ZSXJUGJLGBPMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c28-12-13-32-18-6-8-19(9-7-18)34(30,31)27-15-21-20(24-10-11-25-21)14-22(27)23(29)26-33-16-17-4-2-1-3-5-17/h1-11,22,28H,12-16H2,(H,26,29).
What are the key properties of 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is sourced from PubChem (CID 86590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).