N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide

C24H23N5O4 — CID 69075131

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide (PubChem CID 69075131) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
• PubChem CID: 69075131
• Molecular Formula: C24H23N5O4
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
• SMILES: COc1ccc2nccc(Oc3cnc(CC(=O)Nc4cc(C5CC5)[nH]n4)c(OC)c3)c2c1
• InChI: InChI=1S/C24H23N5O4/c1-31-15-5-6-18-17(9-15)21(7-8-25-18)33-16-10-22(32-2)20(26-13-16)12-24(30)27-23-11-19(28-29-23)14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H2,27,28,29,30)
• InChIKey: ZVPMCCMSKQNESH-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 111.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?

The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide (CID 69075131) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide is COc1ccc2nccc(Oc3cnc(CC(=O)Nc4cc(C5CC5)[nH]n4)c(OC)c3)c2c1.

What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?

The InChIKey is ZVPMCCMSKQNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-31-15-5-6-18-17(9-15)21(7-8-25-18)33-16-10-22(32-2)20(26-13-16)12-24(30)27-23-11-19(28-29-23)14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H2,27,28,29,30).

What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide?

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 69075131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).