8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine

C41H38BrN15O2 — CID 167706859

IUPAC8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc3c(Cc4cccc(N)n4)cnn23)o1.Cc1cccc(Cc2cnn3c(-c4ccc(C)o4)nc(N)nc23)n1.N#CCCc1cccc(Br)n1
InChIInChI=1S/C17H16N6O.C16H15N7O.C8H7BrN2/c1-10-4-3-5-13(20-10)8-12-9-19-23-15(12)21-17(18)22-16(23)14-7-6-11(2)24-14;1-9-5-6-12(24-9)15-22-16(18)21-14-10(8-19-23(14)15)7-11-3-2-4-13(17)20-11;9-8-5-1-3-7(11-8)4-2-6-10/h3-7,9H,8H2,1-2H3,(H2,18,21);2-6,8H,7H2,1H3,(H2,17,20)(H2,18,21);1,3,5H,2,4H2
InChIKeyZFKAJFFGYQNMPC-UHFFFAOYSA-N
MW852.76 g/mol
LogP6.71
Rot. Bonds8

About 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine

8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine (PubChem CID 167706859) has the molecular formula C41H38BrN15O2 and a molecular weight of 852.76 g/mol. Its IUPAC name is 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine.

Molecular Properties

Compound Name8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine
PubChem CID167706859
Molecular FormulaC41H38BrN15O2
Molecular Weight852.76 g/mol
Exact Mass851.25
IUPAC Name8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc3c(Cc4cccc(N)n4)cnn23)o1.Cc1cccc(Cc2cnn3c(-c4ccc(C)o4)nc(N)nc23)n1.N#CCCc1cccc(Br)n1
InChIInChI=1S/C17H16N6O.C16H15N7O.C8H7BrN2/c1-10-4-3-5-13(20-10)8-12-9-19-23-15(12)21-17(18)22-16(23)14-7-6-11(2)24-14;1-9-5-6-12(24-9)15-22-16(18)21-14-10(8-19-23(14)15)7-11-3-2-4-13(17)20-11;9-8-5-1-3-7(11-8)4-2-6-10/h3-7,9H,8H2,1-2H3,(H2,18,21);2-6,8H,7H2,1H3,(H2,17,20)(H2,18,21);1,3,5H,2,4H2
InChIKeyZFKAJFFGYQNMPC-UHFFFAOYSA-N
XLogP6.71
TPSA252.96 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.76
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The IUPAC name of 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine (CID 167706859) is 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine.
What is the SMILES notation for 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The canonical SMILES for 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine is Cc1ccc(-c2nc(N)nc3c(Cc4cccc(N)n4)cnn23)o1.Cc1cccc(Cc2cnn3c(-c4ccc(C)o4)nc(N)nc23)n1.N#CCCc1cccc(Br)n1.
What is the InChIKey of 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
The InChIKey is ZFKAJFFGYQNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O.C16H15N7O.C8H7BrN2/c1-10-4-3-5-13(20-10)8-12-9-19-23-15(12)21-17(18)22-16(23)14-7-6-11(2)24-14;1-9-5-6-12(24-9)15-22-16(18)21-14-10(8-19-23(14)15)7-11-3-2-4-13(17)20-11;9-8-5-1-3-7(11-8)4-2-6-10/h3-7,9H,8H2,1-2H3,(H2,18,21);2-6,8H,7H2,1H3,(H2,17,20)(H2,18,21);1,3,5H,2,4H2.
What are the key properties of 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine?
8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine has a molecular weight of 852.76 g/mol, XLogP of 6.71, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-amino-2-pyridinyl)methyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine;3-(6-bromo-2-pyridinyl)propanenitrile;4-(5-methylfuran-2-yl)-8-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-amine is sourced from PubChem (CID 167706859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).