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

C30H28ClFN6O4S — CID 134135465

IUPAC(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-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)cc2)c2c1CN(C(=O)CNS(C)(=O)=O)C/C2=C\c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C30H28ClFN6O4S/c1-19(26-5-3-4-14-33-26)35-30(40)28-25-18-37(27(39)16-34-43(2,41)42)17-21(15-20-6-10-23(32)11-7-20)29(25)38(36-28)24-12-8-22(31)9-13-24/h3-15,19,34H,16-18H2,1-2H3,(H,35,40)/b21-15+/t19-/m1/s1
InChIKeyZBAGVNLOHADOLK-DDNKWHRWSA-N
MW623.11 g/mol
LogP3.98
Rot. Bonds8

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

(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 134135465) has the molecular formula C30H28ClFN6O4S and a molecular weight of 623.11 g/mol. Its IUPAC name is (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID134135465
Molecular FormulaC30H28ClFN6O4S
Molecular Weight623.11 g/mol
Exact Mass622.16
IUPAC Name(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-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)cc2)c2c1CN(C(=O)CNS(C)(=O)=O)C/C2=C\c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C30H28ClFN6O4S/c1-19(26-5-3-4-14-33-26)35-30(40)28-25-18-37(27(39)16-34-43(2,41)42)17-21(15-20-6-10-23(32)11-7-20)29(25)38(36-28)24-12-8-22(31)9-13-24/h3-15,19,34H,16-18H2,1-2H3,(H,35,40)/b21-15+/t19-/m1/s1
InChIKeyZBAGVNLOHADOLK-DDNKWHRWSA-N
XLogP3.98
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.11
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 134135465) is (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-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)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-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)cc2)c2c1CN(C(=O)CNS(C)(=O)=O)C/C2=C\c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is ZBAGVNLOHADOLK-DDNKWHRWSA-N. The full InChI is InChI=1S/C30H28ClFN6O4S/c1-19(26-5-3-4-14-33-26)35-30(40)28-25-18-37(27(39)16-34-43(2,41)42)17-21(15-20-6-10-23(32)11-7-20)29(25)38(36-28)24-12-8-22(31)9-13-24/h3-15,19,34H,16-18H2,1-2H3,(H,35,40)/b21-15+/t19-/m1/s1.
What are the key properties of (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 623.11 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 134135465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).