N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H28N8O — CID 78162195

IUPACN-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3cccc4c3cnn4C)nc(OC3CCCNC3)nc12
InChIInChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28)
InChIKeyDNQFOZGVJCKAAB-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.88
Rot. Bonds6

About N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 78162195) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID78162195
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC NameN-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3cccc4c3cnn4C)nc(OC3CCCNC3)nc12
InChIInChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28)
InChIKeyDNQFOZGVJCKAAB-UHFFFAOYSA-N
XLogP2.88
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 78162195) is N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3cccc4c3cnn4C)nc(OC3CCCNC3)nc12.
What is the InChIKey of N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is DNQFOZGVJCKAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28).
What are the key properties of N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 420.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-4-yl)methyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 78162195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).