2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide

C23H22N8O2 — CID 155227874

About 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide

2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 155227874) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
• PubChem CID: 155227874
• Molecular Formula: C23H22N8O2
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.19
• IUPAC Name: 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cncn3n2)c1
• InChI: InChI=1S/C23H22N8O2/c1-14(2)26-21(32)12-33-18-5-3-4-15(9-18)22-28-23(20-11-24-13-31(20)30-22)27-17-6-7-19-16(8-17)10-25-29-19/h3-11,13-14H,12H2,1-2H3,(H,25,29)(H,26,32)(H,27,28,30)
• InChIKey: KYKWPHPWVZQXMO-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 122.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide?

The IUPAC name of 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide (CID 155227874) is 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cncn3n2)c1.

What is the InChIKey of 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide?

The InChIKey is KYKWPHPWVZQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-14(2)26-21(32)12-33-18-5-3-4-15(9-18)22-28-23(20-11-24-13-31(20)30-22)27-17-6-7-19-16(8-17)10-25-29-19/h3-11,13-14H,12H2,1-2H3,(H,25,29)(H,26,32)(H,27,28,30).

What are the key properties of 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide?

2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 442.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 155227874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).