1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide

C29H27N5O5 — CID 142778496

About 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide

1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide (PubChem CID 142778496) has the molecular formula C29H27N5O5 and a molecular weight of 525.57 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide
• PubChem CID: 142778496
• Molecular Formula: C29H27N5O5
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.20
• IUPAC Name: 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide
• SMILES: COCCn1c(C)c(C(N)=O)c(=O)n1-c1cccc(-c2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c1
• InChI: InChI=1S/C29H27N5O5/c1-18-27(28(30)35)29(36)34(33(18)13-14-37-2)20-6-4-5-19(15-20)24-10-8-22(17-32-24)39-26-11-12-31-25-16-21(38-3)7-9-23(25)26/h4-12,15-17H,13-14H2,1-3H3,(H2,30,35)
• InChIKey: KAFYXYGKTNOALY-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 123.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide?

The IUPAC name of 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide (CID 142778496) is 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide.

What is the SMILES notation for 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide?

The canonical SMILES for 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide is COCCn1c(C)c(C(N)=O)c(=O)n1-c1cccc(-c2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c1.

What is the InChIKey of 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide?

The InChIKey is KAFYXYGKTNOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O5/c1-18-27(28(30)35)29(36)34(33(18)13-14-37-2)20-6-4-5-19(15-20)24-10-8-22(17-32-24)39-26-11-12-31-25-16-21(38-3)7-9-23(25)26/h4-12,15-17H,13-14H2,1-3H3,(H2,30,35).

What are the key properties of 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide?

1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide has a molecular weight of 525.57 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-2-[3-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]phenyl]-5-methyl-3-oxopyrazole-4-carboxamide is sourced from PubChem (CID 142778496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).