2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

C24H38N4O3 — CID 134806105

About 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 134806105) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

• Compound Name: 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
• PubChem CID: 134806105
• Molecular Formula: C24H38N4O3
• Molecular Weight: 430.59 g/mol
• Exact Mass: 430.29
• IUPAC Name: 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
• SMILES: COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCN(C)CC1)nn2CCC(C)C
• InChI: InChI=1S/C24H38N4O3/c1-17(2)9-14-28-21-8-7-18(16-30-6)15-20(21)22(26-28)31-24(3,4)23(29)25-19-10-12-27(5)13-11-19/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,25,29)
• InChIKey: OQNUWVVFLIJJQI-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.59
LogP ≤ 5	3.60
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-(1-methylpiperidin-4-yl)propanamide?

The IUPAC name of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 134806105) is 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.

What is the SMILES notation for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?

The canonical SMILES for 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCN(C)CC1)nn2CCC(C)C.

What is the InChIKey of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?

The InChIKey is OQNUWVVFLIJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-17(2)9-14-28-21-8-7-18(16-30-6)15-20(21)22(26-28)31-24(3,4)23(29)25-19-10-12-27(5)13-11-19/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,25,29).

What are the key properties of 2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?

2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 430.59 g/mol, XLogP of 3.60, 9 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-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 134806105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).