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

C23H23FN6 — CID 42668785

IUPAC2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3cccc(F)c3)nc(N3CCCCC3)nc2nn1Cc1ccccc1
InChIInChI=1S/C23H23FN6/c24-18-11-7-10-17(14-18)20-19-21(25)30(15-16-8-3-1-4-9-16)28-22(19)27-23(26-20)29-12-5-2-6-13-29/h1,3-4,7-11,14H,2,5-6,12-13,15,25H2
InChIKeyRHGHNPWGOYSVEE-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.25
Rot. Bonds4

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

2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668785) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668785
Molecular FormulaC23H23FN6
Molecular Weight402.48 g/mol
Exact Mass402.20
IUPAC Name2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3cccc(F)c3)nc(N3CCCCC3)nc2nn1Cc1ccccc1
InChIInChI=1S/C23H23FN6/c24-18-11-7-10-17(14-18)20-19-21(25)30(15-16-8-3-1-4-9-16)28-22(19)27-23(26-20)29-12-5-2-6-13-29/h1,3-4,7-11,14H,2,5-6,12-13,15,25H2
InChIKeyRHGHNPWGOYSVEE-UHFFFAOYSA-N
XLogP4.25
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42668785) is 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is Nc1c2c(-c3cccc(F)c3)nc(N3CCCCC3)nc2nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is RHGHNPWGOYSVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6/c24-18-11-7-10-17(14-18)20-19-21(25)30(15-16-8-3-1-4-9-16)28-22(19)27-23(26-20)29-12-5-2-6-13-29/h1,3-4,7-11,14H,2,5-6,12-13,15,25H2.
What are the key properties of 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 402.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).