1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine

C24H26N8O — CID 163239127

IUPAC1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
SMILESCOc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cncn2c1
InChIInChI=1S/C24H26N8O/c1-33-20-7-21(23-10-26-16-31(23)14-20)22-15-32(29-28-22)13-19-12-30-11-18(5-6-24(30)27-19)9-25-8-17-3-2-4-17/h5-7,10-12,14-17,25H,2-4,8-9,13H2,1H3
InChIKeyQDBIOJGOJFYBOO-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.19
Rot. Bonds8

About 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine

1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine (PubChem CID 163239127) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
PubChem CID163239127
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
SMILESCOc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cncn2c1
InChIInChI=1S/C24H26N8O/c1-33-20-7-21(23-10-26-16-31(23)14-20)22-15-32(29-28-22)13-19-12-30-11-18(5-6-24(30)27-19)9-25-8-17-3-2-4-17/h5-7,10-12,14-17,25H,2-4,8-9,13H2,1H3
InChIKeyQDBIOJGOJFYBOO-UHFFFAOYSA-N
XLogP3.19
TPSA86.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine (CID 163239127) is 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine is COc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cncn2c1.
What is the InChIKey of 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
The InChIKey is QDBIOJGOJFYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-33-20-7-21(23-10-26-16-31(23)14-20)22-15-32(29-28-22)13-19-12-30-11-18(5-6-24(30)27-19)9-25-8-17-3-2-4-17/h5-7,10-12,14-17,25H,2-4,8-9,13H2,1H3.
What are the key properties of 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine?
1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine has a molecular weight of 442.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[2-[[4-(6-methoxyimidazo[1,5-a]pyridin-8-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine is sourced from PubChem (CID 163239127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).