(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

C30H27Cl3N6O4S — CID 134152278

IUPAC(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C(=O)CNS(C)(=O)=O)C/C2=C\c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C30H27Cl3N6O4S/c1-18(25-5-3-4-12-34-25)36-30(41)28-23-17-38(27(40)15-35-44(2,42)43)16-20(13-19-6-8-21(31)9-7-19)29(23)39(37-28)26-11-10-22(32)14-24(26)33/h3-14,18,35H,15-17H2,1-2H3,(H,36,41)/b20-13+/t18-/m1/s1
InChIKeyXVXWQXRAIFLXMM-JZQBQCRLSA-N
MW674.01 g/mol
LogP5.15
Rot. Bonds8

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

(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 134152278) has the molecular formula C30H27Cl3N6O4S and a molecular weight of 674.01 g/mol. Its IUPAC name is (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID134152278
Molecular FormulaC30H27Cl3N6O4S
Molecular Weight674.01 g/mol
Exact Mass672.09
IUPAC Name(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C(=O)CNS(C)(=O)=O)C/C2=C\c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C30H27Cl3N6O4S/c1-18(25-5-3-4-12-34-25)36-30(41)28-23-17-38(27(40)15-35-44(2,42)43)16-20(13-19-6-8-21(31)9-7-19)29(23)39(37-28)26-11-10-22(32)14-24(26)33/h3-14,18,35H,15-17H2,1-2H3,(H,36,41)/b20-13+/t18-/m1/s1
InChIKeyXVXWQXRAIFLXMM-JZQBQCRLSA-N
XLogP5.15
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.01
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-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)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 134152278) is (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C(=O)CNS(C)(=O)=O)C/C2=C\c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is XVXWQXRAIFLXMM-JZQBQCRLSA-N. The full InChI is InChI=1S/C30H27Cl3N6O4S/c1-18(25-5-3-4-12-34-25)36-30(41)28-23-17-38(27(40)15-35-44(2,42)43)16-20(13-19-6-8-21(31)9-7-19)29(23)39(37-28)26-11-10-22(32)14-24(26)33/h3-14,18,35H,15-17H2,1-2H3,(H,36,41)/b20-13+/t18-/m1/s1.
What are the key properties of (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 674.01 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 134152278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).