5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C28H30N6O4 — CID 121436710

IUPAC5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(N1CCOCC1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-c4ccccc4)cc3)c2=O)CC1
InChIInChI=1S/C28H30N6O4/c35-26-24-18-30-34(23-8-6-22(7-9-23)21-4-2-1-3-5-21)25(24)29-20-33(26)19-28(37)10-12-31(13-11-28)27(36)32-14-16-38-17-15-32/h1-9,18,20,37H,10-17,19H2
InChIKeyAKEZAGZRSPUCHN-UHFFFAOYSA-N
MW514.59 g/mol
LogP2.53
Rot. Bonds4

About 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121436710) has the molecular formula C28H30N6O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121436710
Molecular FormulaC28H30N6O4
Molecular Weight514.59 g/mol
Exact Mass514.23
IUPAC Name5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(N1CCOCC1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-c4ccccc4)cc3)c2=O)CC1
InChIInChI=1S/C28H30N6O4/c35-26-24-18-30-34(23-8-6-22(7-9-23)21-4-2-1-3-5-21)25(24)29-20-33(26)19-28(37)10-12-31(13-11-28)27(36)32-14-16-38-17-15-32/h1-9,18,20,37H,10-17,19H2
InChIKeyAKEZAGZRSPUCHN-UHFFFAOYSA-N
XLogP2.53
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
5-(2-Morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 5310584
Ethyl 2-[1-(3,4-dimethylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-5-YL]acetate
CID 16011795
5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 16194973
(5R,7S)-N-[(4-fluorophenyl)methyl]-5-(4-morpholin-4-ylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136234642
5-phenethyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 1974591
5-[[1-[(4-Bromophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 157346054
5-[[1-[(2-Bromophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 162648492
1-(4-Fluorophenyl)-5-[[1-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 162652494
1-(4-Fluorophenyl)-5-[[4-hydroxy-1-[(4-nitrophenyl)methyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 162662207
2-[[4-[[1-(4-Fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzonitrile
CID 162668068
5-[[1-[(4-Chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 162671269

Frequently Asked Questions

What is the IUPAC name of 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 121436710) is 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is O=C(N1CCOCC1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-c4ccccc4)cc3)c2=O)CC1.
What is the InChIKey of 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AKEZAGZRSPUCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O4/c35-26-24-18-30-34(23-8-6-22(7-9-23)21-4-2-1-3-5-21)25(24)29-20-33(26)19-28(37)10-12-31(13-11-28)27(36)32-14-16-38-17-15-32/h1-9,18,20,37H,10-17,19H2.
What are the key properties of 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 514.59 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-hydroxy-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121436710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).