1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C20H16N8O — CID 56882874

IUPAC1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3nnc(-c4ccccc4)o3)nc(-c3ccncc3)nc21
InChIInChI=1S/C20H16N8O/c1-28-19-15(11-23-28)18(24-17(25-19)13-7-9-21-10-8-13)22-12-16-26-27-20(29-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyFZWMIOLPVAZHNQ-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.09
Rot. Bonds5

About 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56882874) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56882874
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCc3nnc(-c4ccccc4)o3)nc(-c3ccncc3)nc21
InChIInChI=1S/C20H16N8O/c1-28-19-15(11-23-28)18(24-17(25-19)13-7-9-21-10-8-13)22-12-16-26-27-20(29-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyFZWMIOLPVAZHNQ-UHFFFAOYSA-N
XLogP3.09
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56894425
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70722090
4-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonic acid
CID 175315839
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732300
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70728202
1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70726617
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56882874) is 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCc3nnc(-c4ccccc4)o3)nc(-c3ccncc3)nc21.
What is the InChIKey of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FZWMIOLPVAZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c1-28-19-15(11-23-28)18(24-17(25-19)13-7-9-21-10-8-13)22-12-16-26-27-20(29-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24,25).
What are the key properties of 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 384.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56882874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).