N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine

C23H28N8O — CID 78161993

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nccn1-c1ccccc1CNc1nc(OC2CCNC2)nc2c(C(C)C)cnn12
InChIInChI=1S/C23H28N8O/c1-15(2)19-14-27-31-21(19)28-23(32-18-8-9-24-13-18)29-22(31)26-12-17-6-4-5-7-20(17)30-11-10-25-16(30)3/h4-7,10-11,14-15,18,24H,8-9,12-13H2,1-3H3,(H,26,28,29)
InChIKeyLVOOFGWLTLXUQQ-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.09
Rot. Bonds7

About N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 78161993) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID78161993
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nccn1-c1ccccc1CNc1nc(OC2CCNC2)nc2c(C(C)C)cnn12
InChIInChI=1S/C23H28N8O/c1-15(2)19-14-27-31-21(19)28-23(32-18-8-9-24-13-18)29-22(31)26-12-17-6-4-5-7-20(17)30-11-10-25-16(30)3/h4-7,10-11,14-15,18,24H,8-9,12-13H2,1-3H3,(H,26,28,29)
InChIKeyLVOOFGWLTLXUQQ-UHFFFAOYSA-N
XLogP3.09
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 78161993) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine is Cc1nccn1-c1ccccc1CNc1nc(OC2CCNC2)nc2c(C(C)C)cnn12.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LVOOFGWLTLXUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-15(2)19-14-27-31-21(19)28-23(32-18-8-9-24-13-18)29-22(31)26-12-17-6-4-5-7-20(17)30-11-10-25-16(30)3/h4-7,10-11,14-15,18,24H,8-9,12-13H2,1-3H3,(H,26,28,29).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 432.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-8-propan-2-yl-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 78161993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).