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

C30H27Cl2N5O4 — CID 91322841

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

methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 91322841) has the molecular formula C30H27Cl2N5O4 and a molecular weight of 592.48 g/mol. Its IUPAC name is methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
• PubChem CID: 91322841
• Molecular Formula: C30H27Cl2N5O4
• Molecular Weight: 592.48 g/mol
• Exact Mass: 591.14
• IUPAC Name: methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
• SMILES: CCN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C(=O)OC)CC2=Cc1ccc(OC)cc1)c1ccccn1
• InChI: InChI=1S/C30H27Cl2N5O4/c1-4-36(26-7-5-6-14-33-26)29(38)27-23-18-35(30(39)41-3)17-20(15-19-8-11-22(40-2)12-9-19)28(23)37(34-27)25-13-10-21(31)16-24(25)32/h5-16H,4,17-18H2,1-3H3
• InChIKey: ZCKROEVHXPJRNE-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 89.79 Ų
• 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	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate (CID 91322841) is methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate.

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

The canonical SMILES for methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate is CCN(C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C(=O)OC)CC2=Cc1ccc(OC)cc1)c1ccccn1.

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

The InChIKey is ZCKROEVHXPJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N5O4/c1-4-36(26-7-5-6-14-33-26)29(38)27-23-18-35(30(39)41-3)17-20(15-19-8-11-22(40-2)12-9-19)28(23)37(34-27)25-13-10-21(31)16-24(25)32/h5-16H,4,17-18H2,1-3H3.

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

methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 592.48 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-(2,4-dichlorophenyl)-3-[ethyl(pyridin-2-yl)carbamoyl]-7-[(4-methoxyphenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 91322841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).