methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate

C30H27Cl2N5O4 — CID 11498015

About methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate

methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 11498015) has the molecular formula C30H27Cl2N5O4 and a molecular weight of 592.48 g/mol. Its IUPAC name is methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
• PubChem CID: 11498015
• Molecular Formula: C30H27Cl2N5O4
• Molecular Weight: 592.48 g/mol
• Exact Mass: 591.14
• IUPAC Name: methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
• SMILES: COC(=O)N1C/C(=C\c2ccc(OC)cc2)c2c(c(C(=O)NC(C)c3ccccn3)nn2-c2ccc(Cl)cc2Cl)C1
• InChI: InChI=1S/C30H27Cl2N5O4/c1-18(25-6-4-5-13-33-25)34-29(38)27-23-17-36(30(39)41-3)16-20(14-19-7-10-22(40-2)11-8-19)28(23)37(35-27)26-12-9-21(31)15-24(26)32/h4-15,18H,16-17H2,1-3H3,(H,34,38)/b20-14+
• InChIKey: XUXXTMJZBIFFCA-XSFVSMFZSA-N
• XLogP: 6.20
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.48
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?

The IUPAC name of methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate (CID 11498015) is methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate.

What is the SMILES notation for methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?

The canonical SMILES for methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate is COC(=O)N1C/C(=C\c2ccc(OC)cc2)c2c(c(C(=O)NC(C)c3ccccn3)nn2-c2ccc(Cl)cc2Cl)C1.

What is the InChIKey of methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?

The InChIKey is XUXXTMJZBIFFCA-XSFVSMFZSA-N. The full InChI is InChI=1S/C30H27Cl2N5O4/c1-18(25-6-4-5-13-33-25)34-29(38)27-23-17-36(30(39)41-3)16-20(14-19-7-10-22(40-2)11-8-19)28(23)37(35-27)26-12-9-21(31)15-24(26)32/h4-15,18H,16-17H2,1-3H3,(H,34,38)/b20-14+.

What are the key properties of methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?

methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 592.48 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 11498015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).