2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide

C22H28N4O3 — CID 134810132

About 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide (PubChem CID 134810132) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
• PubChem CID: 134810132
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.22
• IUPAC Name: 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide
• SMILES: COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccnc1
• InChI: InChI=1S/C22H28N4O3/c1-15(2)24-21(27)22(3,4)29-20-18-11-16(14-28-5)8-9-19(18)26(25-20)13-17-7-6-10-23-12-17/h6-12,15H,13-14H2,1-5H3,(H,24,27)
• InChIKey: VUDKRAAGVUBGRB-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?

The IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide (CID 134810132) is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC(C)C)nn2Cc1cccnc1.

What is the InChIKey of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?

The InChIKey is VUDKRAAGVUBGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15(2)24-21(27)22(3,4)29-20-18-11-16(14-28-5)8-9-19(18)26(25-20)13-17-7-6-10-23-12-17/h6-12,15H,13-14H2,1-5H3,(H,24,27).

What are the key properties of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide?

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 396.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 134810132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).