2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide

C25H38N4O4 — CID 134809964

About 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide

2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide (PubChem CID 134809964) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide
• PubChem CID: 134809964
• Molecular Formula: C25H38N4O4
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.29
• IUPAC Name: 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide
• SMILES: CC(C)n1nc(OC(C)(C)C(=O)NCC2CCOCC2)c2cc(CN3CCOCC3)ccc21
• InChI: InChI=1S/C25H38N4O4/c1-18(2)29-22-6-5-20(17-28-9-13-32-14-10-28)15-21(22)23(27-29)33-25(3,4)24(30)26-16-19-7-11-31-12-8-19/h5-6,15,18-19H,7-14,16-17H2,1-4H3,(H,26,30)
• InChIKey: NODXTYSHWCGYCK-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 77.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.60
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide?

The IUPAC name of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide (CID 134809964) is 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide.

What is the SMILES notation for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide?

The canonical SMILES for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide is CC(C)n1nc(OC(C)(C)C(=O)NCC2CCOCC2)c2cc(CN3CCOCC3)ccc21.

What is the InChIKey of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide?

The InChIKey is NODXTYSHWCGYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-18(2)29-22-6-5-20(17-28-9-13-32-14-10-28)15-21(22)23(27-29)33-25(3,4)24(30)26-16-19-7-11-31-12-8-19/h5-6,15,18-19H,7-14,16-17H2,1-4H3,(H,26,30).

What are the key properties of 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide?

2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 458.60 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[5-(morpholin-4-ylmethyl)-1-propan-2-ylindazol-3-yl]oxy-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 134809964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).