4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine

C17H19ClN6 — CID 42667796

IUPAC4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCCCC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C17H19ClN6/c1-23-15(19)13-14(11-7-3-4-8-12(11)18)20-17(21-16(13)22-23)24-9-5-2-6-10-24/h3-4,7-8H,2,5-6,9-10,19H2,1H3
InChIKeyTYSHFIFMMTUSQI-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.26
Rot. Bonds2

About 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine

4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42667796) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42667796
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCn1nc2nc(N3CCCCC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C17H19ClN6/c1-23-15(19)13-14(11-7-3-4-8-12(11)18)20-17(21-16(13)22-23)24-9-5-2-6-10-24/h3-4,7-8H,2,5-6,9-10,19H2,1H3
InChIKeyTYSHFIFMMTUSQI-UHFFFAOYSA-N
XLogP3.26
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42667796) is 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is Cn1nc2nc(N3CCCCC3)nc(-c3ccccc3Cl)c2c1N.
What is the InChIKey of 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is TYSHFIFMMTUSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6/c1-23-15(19)13-14(11-7-3-4-8-12(11)18)20-17(21-16(13)22-23)24-9-5-2-6-10-24/h3-4,7-8H,2,5-6,9-10,19H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 342.83 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42667796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).