1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone

C24H35N9O2 — CID 155046519

About 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone

1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 155046519) has the molecular formula C24H35N9O2 and a molecular weight of 481.61 g/mol. Its IUPAC name is 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

• Compound Name: 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
• PubChem CID: 155046519
• Molecular Formula: C24H35N9O2
• Molecular Weight: 481.61 g/mol
• Exact Mass: 481.29
• IUPAC Name: 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
• SMILES: CC[C@@H](C)Oc1nc(N)c2ncc(Cc3cnc(N4CCN(C(=O)CN(C)C)CC4)c(C)c3)n2n1
• InChI: InChI=1S/C24H35N9O2/c1-6-17(3)35-24-28-21(25)23-27-14-19(33(23)29-24)12-18-11-16(2)22(26-13-18)32-9-7-31(8-10-32)20(34)15-30(4)5/h11,13-14,17H,6-10,12,15H2,1-5H3,(H2,25,28,29)/t17-/m1/s1
• InChIKey: OWAOHPZSMGCJCE-QGZVFWFLSA-N
• XLogP: 1.39
• TPSA: 118.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.61
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?

The IUPAC name of 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone (CID 155046519) is 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone.

What is the SMILES notation for 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?

The canonical SMILES for 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone is CC[C@@H](C)Oc1nc(N)c2ncc(Cc3cnc(N4CCN(C(=O)CN(C)C)CC4)c(C)c3)n2n1.

What is the InChIKey of 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?

The InChIKey is OWAOHPZSMGCJCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H35N9O2/c1-6-17(3)35-24-28-21(25)23-27-14-19(33(23)29-24)12-18-11-16(2)22(26-13-18)32-9-7-31(8-10-32)20(34)15-30(4)5/h11,13-14,17H,6-10,12,15H2,1-5H3,(H2,25,28,29)/t17-/m1/s1.

What are the key properties of 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?

1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 481.61 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 155046519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).