6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one

C23H28N6O5 — CID 57225790

IUPAC6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=C1N=C(c2cc(OCCN3CCOCC3)cc(OCCN3CCOCC3)c2)N=C2N=NC=C12
InChIInChI=1S/C23H28N6O5/c30-23-20-16-24-27-22(20)25-21(26-23)17-13-18(33-11-5-28-1-7-31-8-2-28)15-19(14-17)34-12-6-29-3-9-32-10-4-29/h13-16H,1-12H2
InChIKeyYLRQRMZMANETRV-UHFFFAOYSA-N
MW468.51 g/mol
LogP1.14
Rot. Bonds9

About 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one

6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 57225790) has the molecular formula C23H28N6O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID57225790
Molecular FormulaC23H28N6O5
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESO=C1N=C(c2cc(OCCN3CCOCC3)cc(OCCN3CCOCC3)c2)N=C2N=NC=C12
InChIInChI=1S/C23H28N6O5/c30-23-20-16-24-27-22(20)25-21(26-23)17-13-18(33-11-5-28-1-7-31-8-2-28)15-19(14-17)34-12-6-29-3-9-32-10-4-29/h13-16H,1-12H2
InChIKeyYLRQRMZMANETRV-UHFFFAOYSA-N
XLogP1.14
TPSA109.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one (CID 57225790) is 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one is O=C1N=C(c2cc(OCCN3CCOCC3)cc(OCCN3CCOCC3)c2)N=C2N=NC=C12.
What is the InChIKey of 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is YLRQRMZMANETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5/c30-23-20-16-24-27-22(20)25-21(26-23)17-13-18(33-11-5-28-1-7-31-8-2-28)15-19(14-17)34-12-6-29-3-9-32-10-4-29/h13-16H,1-12H2.
What are the key properties of 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one?
6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 468.51 g/mol, XLogP of 1.14, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 57225790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).