(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

C26H26Cl2FN5O3S — CID 11685644

About (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 11685644) has the molecular formula C26H26Cl2FN5O3S and a molecular weight of 578.50 g/mol. Its IUPAC name is (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 11685644
• Molecular Formula: C26H26Cl2FN5O3S
• Molecular Weight: 578.50 g/mol
• Exact Mass: 577.11
• IUPAC Name: (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: CS(=O)(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)C1
• InChI: InChI=1S/C26H26Cl2FN5O3S/c1-38(36,37)33-15-18(13-17-5-8-20(29)9-6-17)25-21(16-33)24(26(35)31-32-11-3-2-4-12-32)30-34(25)23-10-7-19(27)14-22(23)28/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,31,35)/b18-13+
• InChIKey: BNISNMRNRFQQPN-QGOAFFKASA-N
• XLogP: 4.76
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.50
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 11685644) is (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

What is the SMILES notation for (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is CS(=O)(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)C1.

What is the InChIKey of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is BNISNMRNRFQQPN-QGOAFFKASA-N. The full InChI is InChI=1S/C26H26Cl2FN5O3S/c1-38(36,37)33-15-18(13-17-5-8-20(29)9-6-17)25-21(16-33)24(26(35)31-32-11-3-2-4-12-32)30-34(25)23-10-7-19(27)14-22(23)28/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,31,35)/b18-13+.

What are the key properties of (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 578.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 11685644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).