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

C29H25ClFN5O2 — CID 73002827

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

5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 73002827) has the molecular formula C29H25ClFN5O2 and a molecular weight of 530.00 g/mol. Its IUPAC name is 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 73002827
• Molecular Formula: C29H25ClFN5O2
• Molecular Weight: 530.00 g/mol
• Exact Mass: 529.17
• IUPAC Name: 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: CC(=O)N1CC(=Cc2ccc(F)cc2)c2c(c(C(=O)NC(C)c3ccccn3)nn2-c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C29H25ClFN5O2/c1-18(26-5-3-4-14-32-26)33-29(38)27-25-17-35(19(2)37)16-21(15-20-6-10-23(31)11-7-20)28(25)36(34-27)24-12-8-22(30)9-13-24/h3-15,18H,16-17H2,1-2H3,(H,33,38)
• InChIKey: QYVKZHYVRLVTRM-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.00
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 73002827) is 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is CC(=O)N1CC(=Cc2ccc(F)cc2)c2c(c(C(=O)NC(C)c3ccccn3)nn2-c2ccc(Cl)cc2)C1.

What is the InChIKey of 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is QYVKZHYVRLVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClFN5O2/c1-18(26-5-3-4-14-32-26)33-29(38)27-25-17-35(19(2)37)16-21(15-20-6-10-23(31)11-7-20)28(25)36(34-27)24-12-8-22(30)9-13-24/h3-15,18H,16-17H2,1-2H3,(H,33,38).

What are the key properties of 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 530.00 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 73002827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).