(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide

C29H32Cl2N6O3 — CID 11599571

About (7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide

(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide (PubChem CID 11599571) has the molecular formula C29H32Cl2N6O3 and a molecular weight of 583.52 g/mol. Its IUPAC name is (7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: (7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide
• PubChem CID: 11599571
• Molecular Formula: C29H32Cl2N6O3
• Molecular Weight: 583.52 g/mol
• Exact Mass: 582.19
• IUPAC Name: (7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide
• SMILES: CCNC(=O)N1C/C(=C\c2ccc(OC)cc2)c2c(c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)C1
• InChI: InChI=1S/C29H32Cl2N6O3/c1-3-32-29(39)35-17-20(15-19-7-10-22(40-2)11-8-19)27-23(18-35)26(28(38)34-36-13-5-4-6-14-36)33-37(27)25-12-9-21(30)16-24(25)31/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H,32,39)(H,34,38)/b20-15+
• InChIKey: BOAIJHMLLFEVHM-HMMYKYKNSA-N
• XLogP: 5.40
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.52
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide (CID 11599571) is (7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide.

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

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

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

The InChIKey is BOAIJHMLLFEVHM-HMMYKYKNSA-N. The full InChI is InChI=1S/C29H32Cl2N6O3/c1-3-32-29(39)35-17-20(15-19-7-10-22(40-2)11-8-19)27-23(18-35)26(28(38)34-36-13-5-4-6-14-36)33-37(27)25-12-9-21(30)16-24(25)31/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H,32,39)(H,34,38)/b20-15+.

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

(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide has a molecular weight of 583.52 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-methoxyphenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 11599571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).