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

C22H20F2N6 — CID 42807963

IUPAC2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3ccc(F)cc3)nc(N3CCCCC3)nc2nn1-c1cccc(F)c1
InChIInChI=1S/C22H20F2N6/c23-15-9-7-14(8-10-15)19-18-20(25)30(17-6-4-5-16(24)13-17)28-21(18)27-22(26-19)29-11-2-1-3-12-29/h4-10,13H,1-3,11-12,25H2
InChIKeyLRCAHGVYWLUBTC-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.33
Rot. Bonds3

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

2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42807963) has the molecular formula C22H20F2N6 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42807963
Molecular FormulaC22H20F2N6
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Name2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1c2c(-c3ccc(F)cc3)nc(N3CCCCC3)nc2nn1-c1cccc(F)c1
InChIInChI=1S/C22H20F2N6/c23-15-9-7-14(8-10-15)19-18-20(25)30(17-6-4-5-16(24)13-17)28-21(18)27-22(26-19)29-11-2-1-3-12-29/h4-10,13H,1-3,11-12,25H2
InChIKeyLRCAHGVYWLUBTC-UHFFFAOYSA-N
XLogP4.33
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42807963) is 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is Nc1c2c(-c3ccc(F)cc3)nc(N3CCCCC3)nc2nn1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is LRCAHGVYWLUBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6/c23-15-9-7-14(8-10-15)19-18-20(25)30(17-6-4-5-16(24)13-17)28-21(18)27-22(26-19)29-11-2-1-3-12-29/h4-10,13H,1-3,11-12,25H2.
What are the key properties of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine?
2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 406.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42807963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).