1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C20H20FN7O2 — CID 121436682

IUPAC1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3cccc(-n4ccc(F)n4)c3)c2ncn1CC1(O)CCNCC1
InChIInChI=1S/C20H20FN7O2/c21-17-4-9-27(25-17)14-2-1-3-15(10-14)28-18-16(11-24-28)19(29)26(13-23-18)12-20(30)5-7-22-8-6-20/h1-4,9-11,13,22,30H,5-8,12H2
InChIKeyFYSKZAQSTVARGK-UHFFFAOYSA-N
MW409.43 g/mol
LogP1.02
Rot. Bonds4

About 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121436682) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121436682
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3cccc(-n4ccc(F)n4)c3)c2ncn1CC1(O)CCNCC1
InChIInChI=1S/C20H20FN7O2/c21-17-4-9-27(25-17)14-2-1-3-15(10-14)28-18-16(11-24-28)19(29)26(13-23-18)12-20(30)5-7-22-8-6-20/h1-4,9-11,13,22,30H,5-8,12H2
InChIKeyFYSKZAQSTVARGK-UHFFFAOYSA-N
XLogP1.02
TPSA102.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121436682) is 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3cccc(-n4ccc(F)n4)c3)c2ncn1CC1(O)CCNCC1.
What is the InChIKey of 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FYSKZAQSTVARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c21-17-4-9-27(25-17)14-2-1-3-15(10-14)28-18-16(11-24-28)19(29)26(13-23-18)12-20(30)5-7-22-8-6-20/h1-4,9-11,13,22,30H,5-8,12H2.
What are the key properties of 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 409.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoropyrazol-1-yl)phenyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121436682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).