N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine

C24H32N8O — CID 177367463

IUPACN-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine
SMILESC=Cc1ncc2c(C)nc(-c3c(C)nn(C)c3OC(C)CN(C)Cc3nn(C)cc3C)cn12
InChIInChI=1S/C24H32N8O/c1-9-22-25-10-21-17(4)26-20(14-32(21)22)23-18(5)27-31(8)24(23)33-16(3)12-29(6)13-19-15(2)11-30(7)28-19/h9-11,14,16H,1,12-13H2,2-8H3
InChIKeyQADPZQLQJKMQMD-UHFFFAOYSA-N
MW448.58 g/mol
LogP3.33
Rot. Bonds8

About N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine

N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine (PubChem CID 177367463) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine
PubChem CID177367463
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC NameN-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine
SMILESC=Cc1ncc2c(C)nc(-c3c(C)nn(C)c3OC(C)CN(C)Cc3nn(C)cc3C)cn12
InChIInChI=1S/C24H32N8O/c1-9-22-25-10-21-17(4)26-20(14-32(21)22)23-18(5)27-31(8)24(23)33-16(3)12-29(6)13-19-15(2)11-30(7)28-19/h9-11,14,16H,1,12-13H2,2-8H3
InChIKeyQADPZQLQJKMQMD-UHFFFAOYSA-N
XLogP3.33
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine with MolForge

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Related Compounds

7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 34
CID 118278242
US10399985, Example 38
CID 118288258
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-4-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 44413420
3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-7-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406910
7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-(pyridin-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406914
3-(2-Fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrazin-1-ium-1-ylpyrazolo[1,5-d][1,2,4]triazine
CID 44413421
3-[1-(4-Fluorophenyl)pyrazol-4-yl]-6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazine
CID 72375443
N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 90677029
7-[[1-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164627270

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine (CID 177367463) is N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine is C=Cc1ncc2c(C)nc(-c3c(C)nn(C)c3OC(C)CN(C)Cc3nn(C)cc3C)cn12.
What is the InChIKey of N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The InChIKey is QADPZQLQJKMQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-9-22-25-10-21-17(4)26-20(14-32(21)22)23-18(5)27-31(8)24(23)33-16(3)12-29(6)13-19-15(2)11-30(7)28-19/h9-11,14,16H,1,12-13H2,2-8H3.
What are the key properties of N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine has a molecular weight of 448.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-3-yl)methyl]-2-[4-(3-ethenyl-8-methylimidazo[1,5-a]pyrazin-6-yl)-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 177367463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).