1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C21H20FN7O2 — CID 162648672

IUPAC1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ncccn2)CC1
InChIInChI=1S/C21H20FN7O2/c22-15-2-4-16(5-3-15)29-18-17(12-26-29)19(30)28(14-25-18)13-21(31)6-10-27(11-7-21)20-23-8-1-9-24-20/h1-5,8-9,12,14,31H,6-7,10-11,13H2
InChIKeyBHNPRRPGMNHKQF-UHFFFAOYSA-N
MW421.44 g/mol
LogP1.54
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162648672) has the molecular formula C21H20FN7O2 and a molecular weight of 421.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162648672
Molecular FormulaC21H20FN7O2
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC Name1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ncccn2)CC1
InChIInChI=1S/C21H20FN7O2/c22-15-2-4-16(5-3-15)29-18-17(12-26-29)19(30)28(14-25-18)13-21(31)6-10-27(11-7-21)20-23-8-1-9-24-20/h1-5,8-9,12,14,31H,6-7,10-11,13H2
InChIKeyBHNPRRPGMNHKQF-UHFFFAOYSA-N
XLogP1.54
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 162648672) is 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BHNPRRPGMNHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O2/c22-15-2-4-16(5-3-15)29-18-17(12-26-29)19(30)28(14-25-18)13-21(31)6-10-27(11-7-21)20-23-8-1-9-24-20/h1-5,8-9,12,14,31H,6-7,10-11,13H2.
What are the key properties of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 421.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162648672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).