N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C24H30N8O — CID 71731909

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3ccnc3)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C24H30N8O/c1-17(2)20-15-27-32-22(20)28-24(33-19-8-11-30(3)12-9-19)29-23(32)26-14-18-6-4-5-7-21(18)31-13-10-25-16-31/h4-7,10,13,15-17,19H,8-9,11-12,14H2,1-3H3,(H,26,28,29)
InChIKeyKLTSWTPLJGXFTH-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.52
Rot. Bonds7

About N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 71731909) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID71731909
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3-n3ccnc3)nc(OC3CCN(C)CC3)nc12
InChIInChI=1S/C24H30N8O/c1-17(2)20-15-27-32-22(20)28-24(33-19-8-11-30(3)12-9-19)29-23(32)26-14-18-6-4-5-7-21(18)31-13-10-25-16-31/h4-7,10,13,15-17,19H,8-9,11-12,14H2,1-3H3,(H,26,28,29)
InChIKeyKLTSWTPLJGXFTH-UHFFFAOYSA-N
XLogP3.52
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 71731909) is N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccccc3-n3ccnc3)nc(OC3CCN(C)CC3)nc12.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is KLTSWTPLJGXFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-17(2)20-15-27-32-22(20)28-24(33-19-8-11-30(3)12-9-19)29-23(32)26-14-18-6-4-5-7-21(18)31-13-10-25-16-31/h4-7,10,13,15-17,19H,8-9,11-12,14H2,1-3H3,(H,26,28,29).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 446.56 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 71731909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).