(7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

C30H30Cl2N6O4S — CID 11592653

IUPAC(7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CN(S(=O)(=O)N(C)C)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C30H30Cl2N6O4S/c1-19(26-7-5-6-14-33-26)34-30(39)28-24-18-37(43(40,41)36(2)3)17-21(15-20-8-11-23(42-4)12-9-20)29(24)38(35-28)27-13-10-22(31)16-25(27)32/h5-16,19H,17-18H2,1-4H3,(H,34,39)/b21-15+
InChIKeyQTIVZUDRLBOSLU-RCCKNPSSSA-N
MW641.58 g/mol
LogP5.24
Rot. Bonds8

About (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

(7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 11592653) has the molecular formula C30H30Cl2N6O4S and a molecular weight of 641.58 g/mol. Its IUPAC name is (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID11592653
Molecular FormulaC30H30Cl2N6O4S
Molecular Weight641.58 g/mol
Exact Mass640.14
IUPAC Name(7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CN(S(=O)(=O)N(C)C)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C30H30Cl2N6O4S/c1-19(26-7-5-6-14-33-26)34-30(39)28-24-18-37(43(40,41)36(2)3)17-21(15-20-8-11-23(42-4)12-9-20)29(24)38(35-28)27-13-10-22(31)16-25(27)32/h5-16,19H,17-18H2,1-4H3,(H,34,39)/b21-15+
InChIKeyQTIVZUDRLBOSLU-RCCKNPSSSA-N
XLogP5.24
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 11592653) is (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is COc1ccc(/C=C2\CN(S(=O)(=O)N(C)C)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.
What is the InChIKey of (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is QTIVZUDRLBOSLU-RCCKNPSSSA-N. The full InChI is InChI=1S/C30H30Cl2N6O4S/c1-19(26-7-5-6-14-33-26)34-30(39)28-24-18-37(43(40,41)36(2)3)17-21(15-20-8-11-23(42-4)12-9-20)29(24)38(35-28)27-13-10-22(31)16-25(27)32/h5-16,19H,17-18H2,1-4H3,(H,34,39)/b21-15+.
What are the key properties of (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
(7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 641.58 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-(2,4-dichlorophenyl)-5-(dimethylsulfamoyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 11592653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).