N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

C23H24N6O — CID 17016765

IUPACN-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C23H24N6O/c1-30-19-12-10-17(11-13-19)25-21-20-16-24-29(18-8-4-2-5-9-18)22(20)27-23(26-21)28-14-6-3-7-15-28/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,26,27)
InChIKeySXZYPQCSFNQQRC-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.56
Rot. Bonds5

About N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17016765) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17016765
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C23H24N6O/c1-30-19-12-10-17(11-13-19)25-21-20-16-24-29(18-8-4-2-5-9-18)22(20)27-23(26-21)28-14-6-3-7-15-28/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,26,27)
InChIKeySXZYPQCSFNQQRC-UHFFFAOYSA-N
XLogP4.56
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 17016765) is N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SXZYPQCSFNQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-30-19-12-10-17(11-13-19)25-21-20-16-24-29(18-8-4-2-5-9-18)22(20)27-23(26-21)28-14-6-3-7-15-28/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,26,27).
What are the key properties of N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 400.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17016765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).