N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

C23H30ClN5O5S — CID 170520462

IUPACN-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1C(=O)NC(CC1(S(=O)(=O)NCC(C)(C)O)CC1)C2
InChIInChI=1S/C23H30ClN5O5S/c1-22(2,32)13-26-35(33,34)23(8-9-23)11-16-10-17-18(28-29(3)19(17)21(31)27-16)20(30)25-12-14-4-6-15(24)7-5-14/h4-7,16,26,32H,8-13H2,1-3H3,(H,25,30)(H,27,31)
InChIKeyAXQFOSPGGCFAGV-UHFFFAOYSA-N
MW524.04 g/mol
LogP1.27
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 170520462) has the molecular formula C23H30ClN5O5S and a molecular weight of 524.04 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID170520462
Molecular FormulaC23H30ClN5O5S
Molecular Weight524.04 g/mol
Exact Mass523.17
IUPAC NameN-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1C(=O)NC(CC1(S(=O)(=O)NCC(C)(C)O)CC1)C2
InChIInChI=1S/C23H30ClN5O5S/c1-22(2,32)13-26-35(33,34)23(8-9-23)11-16-10-17-18(28-29(3)19(17)21(31)27-16)20(30)25-12-14-4-6-15(24)7-5-14/h4-7,16,26,32H,8-13H2,1-3H3,(H,25,30)(H,27,31)
InChIKeyAXQFOSPGGCFAGV-UHFFFAOYSA-N
XLogP1.27
TPSA142.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.04
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 170928558
1-(bromomethyl)-1-cyclopropylsulfonylcyclopropane;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-(2-hydroxy-2-methylpropyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;ethyl 6-[(1-cyclopropylsulfonylcyclopropyl)methyl]-1-(2-hydroxy-2-methylpropyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;ethyl 1-(2-hydroxy-2-methylpropyl)-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 158755021
4-[2-[1-(bromomethyl)cyclopropyl]sulfonylpropan-2-yl]-2,2-dimethyl-1,3-dioxolane;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-[[1-(3,4-dihydroxy-2-methylbutan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;ethyl 6-[[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;ethyl 1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 158260850
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
1-N'-tert-butyl-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976064
5-[2-(4-chlorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066561
N-[(4-chlorophenyl)methyl]-1-methyl-5-(2-phenylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066501
tert-butyl 3-[2-[1-[[3-[(4-cyanophenyl)methylcarbamoyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]methyl]cyclopropyl]sulfonyl-2-methylpropyl]azetidine-1-carboxylate
CID 166513952
7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide
CID 156526138
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]-6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;N-[(4-cyanophenyl)methyl]-1-methyl-6-[[1-(2-methyl-1-oxopropan-2-yl)sulfonylcyclopropyl]methyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 159216673

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 170520462) is N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1C(=O)NC(CC1(S(=O)(=O)NCC(C)(C)O)CC1)C2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is AXQFOSPGGCFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O5S/c1-22(2,32)13-26-35(33,34)23(8-9-23)11-16-10-17-18(28-29(3)19(17)21(31)27-16)20(30)25-12-14-4-6-15(24)7-5-14/h4-7,16,26,32H,8-13H2,1-3H3,(H,25,30)(H,27,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 524.04 g/mol, XLogP of 1.27, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-[[1-[(2-hydroxy-2-methylpropyl)sulfamoyl]cyclopropyl]methyl]-1-methyl-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 170520462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).