1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H20N8 — CID 95342810

IUPAC1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCC[C@@H](Nc3ncnc4c3cnn4C)C2)nn1
InChIInChI=1S/C16H20N8/c1-11-5-6-14(22-21-11)24-7-3-4-12(9-24)20-15-13-8-19-23(2)16(13)18-10-17-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeyZWKQOUBSAGBYLH-GFCCVEGCSA-N
MW324.39 g/mol
LogP1.54
Rot. Bonds3

About 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95342810) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95342810
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCC[C@@H](Nc3ncnc4c3cnn4C)C2)nn1
InChIInChI=1S/C16H20N8/c1-11-5-6-14(22-21-11)24-7-3-4-12(9-24)20-15-13-8-19-23(2)16(13)18-10-17-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,18,20)/t12-/m1/s1
InChIKeyZWKQOUBSAGBYLH-GFCCVEGCSA-N
XLogP1.54
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95342810) is 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(N2CCC[C@@H](Nc3ncnc4c3cnn4C)C2)nn1.
What is the InChIKey of 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZWKQOUBSAGBYLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N8/c1-11-5-6-14(22-21-11)24-7-3-4-12(9-24)20-15-13-8-19-23(2)16(13)18-10-17-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95342810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).