2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide

C25H34N4O3 — CID 134808494

About 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide (PubChem CID 134808494) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide.

Molecular Properties

• Compound Name: 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide
• PubChem CID: 134808494
• Molecular Formula: C25H34N4O3
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.26
• IUPAC Name: 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide
• SMILES: COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCc1cccnc1)nn2CCC(C)C
• InChI: InChI=1S/C25H34N4O3/c1-18(2)11-14-29-22-9-8-20(17-31-5)15-21(22)23(28-29)32-25(3,4)24(30)27-13-10-19-7-6-12-26-16-19/h6-9,12,15-16,18H,10-11,13-14,17H2,1-5H3,(H,27,30)
• InChIKey: COZPHEZEYATKPC-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide?

The IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide (CID 134808494) is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide.

What is the SMILES notation for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide?

The canonical SMILES for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCc1cccnc1)nn2CCC(C)C.

What is the InChIKey of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide?

The InChIKey is COZPHEZEYATKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-18(2)11-14-29-22-9-8-20(17-31-5)15-21(22)23(28-29)32-25(3,4)24(30)27-13-10-19-7-6-12-26-16-19/h6-9,12,15-16,18H,10-11,13-14,17H2,1-5H3,(H,27,30).

What are the key properties of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide?

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide has a molecular weight of 438.57 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 134808494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).