2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C24H26FN7O2 — CID 42667600

IUPAC2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccc(F)cc4)c(N)c23)cc1
InChIInChI=1S/C24H26FN7O2/c1-33-19-8-2-16(3-9-19)21-20-22(26)32(18-6-4-17(25)5-7-18)30-23(20)29-24(28-21)27-10-11-31-12-14-34-15-13-31/h2-9H,10-15,26H2,1H3,(H,27,29,30)
InChIKeyDYIYKPXGHGZZLL-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.96
Rot. Bonds7

About 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42667600) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42667600
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccc(F)cc4)c(N)c23)cc1
InChIInChI=1S/C24H26FN7O2/c1-33-19-8-2-16(3-9-19)21-20-22(26)32(18-6-4-17(25)5-7-18)30-23(20)29-24(28-21)27-10-11-31-12-14-34-15-13-31/h2-9H,10-15,26H2,1H3,(H,27,29,30)
InChIKeyDYIYKPXGHGZZLL-UHFFFAOYSA-N
XLogP2.96
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42667600) is 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is COc1ccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccc(F)cc4)c(N)c23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is DYIYKPXGHGZZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-33-19-8-2-16(3-9-19)21-20-22(26)32(18-6-4-17(25)5-7-18)30-23(20)29-24(28-21)27-10-11-31-12-14-34-15-13-31/h2-9H,10-15,26H2,1H3,(H,27,29,30).
What are the key properties of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 463.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42667600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).