2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine

C27H33N5O4S — CID 143383799

IUPAC2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine
SMILESCc1cc(-c2cnn(C)c2)cnc1/C=C\c1c(C)cc(NS(=O)(=O)N(C)CC2CCCCO2)cc1C=O
InChIInChI=1S/C27H33N5O4S/c1-19-12-24(30-37(34,35)32(4)17-25-7-5-6-10-36-25)13-22(18-33)26(19)8-9-27-20(2)11-21(14-28-27)23-15-29-31(3)16-23/h8-9,11-16,18,25,30H,5-7,10,17H2,1-4H3/b9-8-
InChIKeyWYGNWOMQXMNEDZ-HJWRWDBZSA-N
MW523.66 g/mol
LogP4.24
Rot. Bonds9

About 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine

2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine (PubChem CID 143383799) has the molecular formula C27H33N5O4S and a molecular weight of 523.66 g/mol. Its IUPAC name is 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine
PubChem CID143383799
Molecular FormulaC27H33N5O4S
Molecular Weight523.66 g/mol
Exact Mass523.23
IUPAC Name2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine
SMILESCc1cc(-c2cnn(C)c2)cnc1/C=C\c1c(C)cc(NS(=O)(=O)N(C)CC2CCCCO2)cc1C=O
InChIInChI=1S/C27H33N5O4S/c1-19-12-24(30-37(34,35)32(4)17-25-7-5-6-10-36-25)13-22(18-33)26(19)8-9-27-20(2)11-21(14-28-27)23-15-29-31(3)16-23/h8-9,11-16,18,25,30H,5-7,10,17H2,1-4H3/b9-8-
InChIKeyWYGNWOMQXMNEDZ-HJWRWDBZSA-N
XLogP4.24
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

13-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 54585111
N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 146639529
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate
CID 162749581
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]urea
CID 170689309
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide
CID 164929724
2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
CID 146640622
N'-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamimidate
CID 170689304
N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 131933777
1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
CID 129354832

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine (CID 143383799) is 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine is Cc1cc(-c2cnn(C)c2)cnc1/C=C\c1c(C)cc(NS(=O)(=O)N(C)CC2CCCCO2)cc1C=O.
What is the InChIKey of 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is WYGNWOMQXMNEDZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C27H33N5O4S/c1-19-12-24(30-37(34,35)32(4)17-25-7-5-6-10-36-25)13-22(18-33)26(19)8-9-27-20(2)11-21(14-28-27)23-15-29-31(3)16-23/h8-9,11-16,18,25,30H,5-7,10,17H2,1-4H3/b9-8-.
What are the key properties of 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine?
2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 523.66 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[2-formyl-6-methyl-4-[[methyl(oxan-2-ylmethyl)sulfamoyl]amino]phenyl]ethenyl]-3-methyl-5-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 143383799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).