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

C26H23N5O5S — CID 154072364

IUPACN-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C26H23N5O5S/c32-26(30-35-18-19-4-2-1-3-5-19)25-16-23-24(29-15-14-28-23)17-31(25)37(33,34)22-8-6-20(7-9-22)36-21-10-12-27-13-11-21/h1-15,25H,16-18H2,(H,30,32)
InChIKeyJVPSLEIOEJBMNF-UHFFFAOYSA-N
MW517.57 g/mol
LogP3.03
Rot. Bonds8

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

N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (PubChem CID 154072364) has the molecular formula C26H23N5O5S and a molecular weight of 517.57 g/mol. Its IUPAC name is N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
PubChem CID154072364
Molecular FormulaC26H23N5O5S
Molecular Weight517.57 g/mol
Exact Mass517.14
IUPAC NameN-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C26H23N5O5S/c32-26(30-35-18-19-4-2-1-3-5-19)25-16-23-24(29-15-14-28-23)17-31(25)37(33,34)22-8-6-20(7-9-22)36-21-10-12-27-13-11-21/h1-15,25H,16-18H2,(H,30,32)
InChIKeyJVPSLEIOEJBMNF-UHFFFAOYSA-N
XLogP3.03
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 86590459
6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 154072344
(7R)-6-[4-(4-phenoxyphenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid
CID 11733853
(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 11004130
(2R,3R,4R,5R)-3,4,5-trihydroxy-1-(4-phenoxyphenyl)sulfonyl-N-phenylmethoxypiperidine-2-carboxamide
CID 58866153
ethyl 4-[4-[[7-(hydroxycarbamoyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]sulfonyl]phenoxy]butanoate
CID 85306354
(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide
CID 18345616
(3R)-2-(4-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2320240
methyl (2R,4Z)-4-[(2-methylpropan-2-yl)oxyimino]-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 10575412
(3aS,4R,7R,7aR)-7-hydroxy-5-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-N-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 58866156
(3aS,4R,7R,7aS)-7-hydroxy-5-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-N-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 58866129
tert-butyl 6-[4-(3-methylsulfanylpropoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylate
CID 86590458

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The IUPAC name of N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (CID 154072364) is N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The canonical SMILES for N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is O=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The InChIKey is JVPSLEIOEJBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5S/c32-26(30-35-18-19-4-2-1-3-5-19)25-16-23-24(29-15-14-28-23)17-31(25)37(33,34)22-8-6-20(7-9-22)36-21-10-12-27-13-11-21/h1-15,25H,16-18H2,(H,30,32).
What are the key properties of N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide has a molecular weight of 517.57 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is sourced from PubChem (CID 154072364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).