N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

C23H24N6O5S — CID 169147204

IUPACN-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
SMILESCN(C)S(=O)(=O)C1(COc2nncc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C23H24N6O5S/c1-28(2)35(32,33)23(8-9-23)14-34-21-19-17(13-26-27-21)10-18(22(31)29(19)3)20(30)25-12-16-6-4-15(11-24)5-7-16/h4-7,10,13H,8-9,12,14H2,1-3H3,(H,25,30)
InChIKeyPFZGOBOEMGQASM-UHFFFAOYSA-N
MW496.55 g/mol
LogP0.93
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (PubChem CID 169147204) has the molecular formula C23H24N6O5S and a molecular weight of 496.55 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
PubChem CID169147204
Molecular FormulaC23H24N6O5S
Molecular Weight496.55 g/mol
Exact Mass496.15
IUPAC NameN-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
SMILESCN(C)S(=O)(=O)C1(COc2nncc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C23H24N6O5S/c1-28(2)35(32,33)23(8-9-23)14-34-21-19-17(13-26-27-21)10-18(22(31)29(19)3)20(30)25-12-16-6-4-15(11-24)5-7-16/h4-7,10,13H,8-9,12,14H2,1-3H3,(H,25,30)
InChIKeyPFZGOBOEMGQASM-UHFFFAOYSA-N
XLogP0.93
TPSA147.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147079
N-[(4-cyanophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147238
N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide
CID 169147430
8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147270
N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-(1,3-oxazepan-3-ylsulfonyl)cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide;molecular hydrogen
CID 169146985
N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147510
N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147212
N-[(4-cyano-3,5-difluorophenyl)methyl]-8-[(1-cyclopropylsulfonylcyclopropyl)methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147346
N-[(4-chlorophenyl)methyl]-8-[(1-cyclobutylsulfonylcyclopropyl)methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169146969
N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147154
N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147027
8-[[1-[tert-butyl(methyl)amino]sulfanylcyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169146998

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (CID 169147204) is N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is CN(C)S(=O)(=O)C1(COc2nncc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The InChIKey is PFZGOBOEMGQASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5S/c1-28(2)35(32,33)23(8-9-23)14-34-21-19-17(13-26-27-21)10-18(22(31)29(19)3)20(30)25-12-16-6-4-15(11-24)5-7-16/h4-7,10,13H,8-9,12,14H2,1-3H3,(H,25,30).
What are the key properties of N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide has a molecular weight of 496.55 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is sourced from PubChem (CID 169147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).