2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C21H32N8O — CID 155053760

IUPAC2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCCOc1nc(N)c2ncc(CC3C=C(C)C(N4CCNC[C@H]4C)=NC3)n2n1
InChIInChI=1S/C21H32N8O/c1-4-5-8-30-21-26-18(22)20-25-13-17(29(20)27-21)10-16-9-14(2)19(24-12-16)28-7-6-23-11-15(28)3/h9,13,15-16,23H,4-8,10-12H2,1-3H3,(H2,22,26,27)/t15-,16?/m1/s1
InChIKeyFFQKOFMJFUEPDK-AAFJCEBUSA-N
MW412.54 g/mol
LogP1.70
Rot. Bonds6

About 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155053760) has the molecular formula C21H32N8O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155053760
Molecular FormulaC21H32N8O
Molecular Weight412.54 g/mol
Exact Mass412.27
IUPAC Name2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCCOc1nc(N)c2ncc(CC3C=C(C)C(N4CCNC[C@H]4C)=NC3)n2n1
InChIInChI=1S/C21H32N8O/c1-4-5-8-30-21-26-18(22)20-25-13-17(29(20)27-21)10-16-9-14(2)19(24-12-16)28-7-6-23-11-15(28)3/h9,13,15-16,23H,4-8,10-12H2,1-3H3,(H2,22,26,27)/t15-,16?/m1/s1
InChIKeyFFQKOFMJFUEPDK-AAFJCEBUSA-N
XLogP1.70
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butoxy-7-[(2-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155046429
2-butoxy-7-[[4-(piperazin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155046314
2-butoxy-7-[[6-(1,4-diazepan-1-yl)-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 157021747
2-butoxy-7-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155046398
2-butoxy-7-[[6-(2,7-diazaspiro[3.5]nonan-7-yl)-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 157021599
2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777697
2-but-3-enoxy-7-[(5-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155053769
2-[(2S)-pentan-2-yl]oxy-7-[(1-pentylpiperidin-4-yl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167562973
2-[4-amino-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-2-yl]oxypentan-1-ol
CID 155777792
2-butoxy-7-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 164738989
2-butoxy-7-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155046343
(2S,3S)-2-amino-1-[4-[5-[(4-amino-2-butoxyimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-3-methylpentan-1-one
CID 155053763

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 155053760) is 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is CCCCOc1nc(N)c2ncc(CC3C=C(C)C(N4CCNC[C@H]4C)=NC3)n2n1.
What is the InChIKey of 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FFQKOFMJFUEPDK-AAFJCEBUSA-N. The full InChI is InChI=1S/C21H32N8O/c1-4-5-8-30-21-26-18(22)20-25-13-17(29(20)27-21)10-16-9-14(2)19(24-12-16)28-7-6-23-11-15(28)3/h9,13,15-16,23H,4-8,10-12H2,1-3H3,(H2,22,26,27)/t15-,16?/m1/s1.
What are the key properties of 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 412.54 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-7-[[5-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2,3-dihydropyridin-3-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155053760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).