N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

C24H27ClN4O6S — CID 169147154

IUPACN-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cnnc(OCC3(S(=O)(=O)C(C)(C)CO)CC3)c21
InChIInChI=1S/C24H27ClN4O6S/c1-23(2,13-30)36(33,34)24(8-9-24)14-35-21-19-16(12-27-28-21)10-18(22(32)29(19)3)20(31)26-11-15-4-6-17(25)7-5-15/h4-7,10,12,30H,8-9,11,13-14H2,1-3H3,(H,26,31)
InChIKeyRMMQBTSOOLZBAC-UHFFFAOYSA-N
MW535.02 g/mol
LogP2.01
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (PubChem CID 169147154) has the molecular formula C24H27ClN4O6S and a molecular weight of 535.02 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
PubChem CID169147154
Molecular FormulaC24H27ClN4O6S
Molecular Weight535.02 g/mol
Exact Mass534.13
IUPAC NameN-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cnnc(OCC3(S(=O)(=O)C(C)(C)CO)CC3)c21
InChIInChI=1S/C24H27ClN4O6S/c1-23(2,13-30)36(33,34)24(8-9-24)14-35-21-19-16(12-27-28-21)10-18(22(32)29(19)3)20(31)26-11-15-4-6-17(25)7-5-15/h4-7,10,12,30H,8-9,11,13-14H2,1-3H3,(H,26,31)
InChIKeyRMMQBTSOOLZBAC-UHFFFAOYSA-N
XLogP2.01
TPSA140.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147212
N-[(4-chlorophenyl)methyl]-8-[(1-cyclobutylsulfonylcyclopropyl)methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169146969
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]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147204
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]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide
CID 169147430
N-[(4-cyano-3,5-difluorophenyl)methyl]-8-[(1-cyclopropylsulfonylcyclopropyl)methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147346
N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147582
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-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
1-[[1-methyl-3-[[4-(methylamino)phenyl]methylcarbamoyl]-2-oxo-1,7-naphthyridin-8-yl]oxymethyl]cyclopropane-1-sulfonyl chloride
CID 169147699
N-[(4-cyanophenyl)methyl]-4-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-5-methyl-6-oxopteridine-7-carboxamide
CID 169147458

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The IUPAC name of 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) is N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cnnc(OCC3(S(=O)(=O)C(C)(C)CO)CC3)c21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The InChIKey is RMMQBTSOOLZBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O6S/c1-23(2,13-30)36(33,34)24(8-9-24)14-35-21-19-16(12-27-28-21)10-18(22(32)29(19)3)20(31)26-11-15-4-6-17(25)7-5-15/h4-7,10,12,30H,8-9,11,13-14H2,1-3H3,(H,26,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide has a molecular weight of 535.02 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is sourced from PubChem (CID 169147154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).