N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H20N8O — CID 95721786

IUPACN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C
InChIInChI=1S/C18H20N8O/c1-25-15(6-8-20-25)14(11-27-3)22-17-13-10-21-26(2)18(13)24-16(23-17)12-5-4-7-19-9-12/h4-10,14H,11H2,1-3H3,(H,22,23,24)/t14-/m0/s1
InChIKeyILBQKSSZIHYYIS-AWEZNQCLSA-N
MW364.41 g/mol
LogP1.96
Rot. Bonds6

About N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95721786) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95721786
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C
InChIInChI=1S/C18H20N8O/c1-25-15(6-8-20-25)14(11-27-3)22-17-13-10-21-26(2)18(13)24-16(23-17)12-5-4-7-19-9-12/h4-10,14H,11H2,1-3H3,(H,22,23,24)/t14-/m0/s1
InChIKeyILBQKSSZIHYYIS-AWEZNQCLSA-N
XLogP1.96
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95721786) is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is COC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C.
What is the InChIKey of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ILBQKSSZIHYYIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N8O/c1-25-15(6-8-20-25)14(11-27-3)22-17-13-10-21-26(2)18(13)24-16(23-17)12-5-4-7-19-9-12/h4-10,14H,11H2,1-3H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 364.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95721786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).