4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C17H20FN7O — CID 73356564

IUPAC4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2nc(NCCN3CCOCC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C17H20FN7O/c18-12-1-3-13(4-2-12)21-15-14-11-20-24-16(14)23-17(22-15)19-5-6-25-7-9-26-10-8-25/h1-4,11H,5-10H2,(H3,19,20,21,22,23,24)
InChIKeyWSOOKKKWRKBGTR-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.98
Rot. Bonds6

About 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 73356564) has the molecular formula C17H20FN7O and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID73356564
Molecular FormulaC17H20FN7O
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC Name4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2nc(NCCN3CCOCC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C17H20FN7O/c18-12-1-3-13(4-2-12)21-15-14-11-20-24-16(14)23-17(22-15)19-5-6-25-7-9-26-10-8-25/h1-4,11H,5-10H2,(H3,19,20,21,22,23,24)
InChIKeyWSOOKKKWRKBGTR-UHFFFAOYSA-N
XLogP1.98
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 73356564) is 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Fc1ccc(Nc2nc(NCCN3CCOCC3)nc3[nH]ncc23)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is WSOOKKKWRKBGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7O/c18-12-1-3-13(4-2-12)21-15-14-11-20-24-16(14)23-17(22-15)19-5-6-25-7-9-26-10-8-25/h1-4,11H,5-10H2,(H3,19,20,21,22,23,24).
What are the key properties of 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 357.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 73356564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).