1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C28H32FN7O4 — CID 121436487

IUPAC1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(NC2CCC(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)CC2)no1
InChIInChI=1S/C28H32FN7O4/c1-18-14-24(33-40-18)32-21-6-2-19(3-7-21)26(37)34-12-10-28(39,11-13-34)16-35-17-30-25-23(27(35)38)15-31-36(25)22-8-4-20(29)5-9-22/h4-5,8-9,14-15,17,19,21,39H,2-3,6-7,10-13,16H2,1H3,(H,32,33)
InChIKeyQUCOCRAKBZMMKO-UHFFFAOYSA-N
MW549.61 g/mol
LogP3.04
Rot. Bonds6

About 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121436487) has the molecular formula C28H32FN7O4 and a molecular weight of 549.61 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121436487
Molecular FormulaC28H32FN7O4
Molecular Weight549.61 g/mol
Exact Mass549.25
IUPAC Name1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(NC2CCC(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)CC2)no1
InChIInChI=1S/C28H32FN7O4/c1-18-14-24(33-40-18)32-21-6-2-19(3-7-21)26(37)34-12-10-28(39,11-13-34)16-35-17-30-25-23(27(35)38)15-31-36(25)22-8-4-20(29)5-9-22/h4-5,8-9,14-15,17,19,21,39H,2-3,6-7,10-13,16H2,1H3,(H,32,33)
InChIKeyQUCOCRAKBZMMKO-UHFFFAOYSA-N
XLogP3.04
TPSA131.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.61
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 121436270
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436724
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436765
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-difluorophenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435967
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2,4-difluorophenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436567
5-[[1-[4-[(2-fluoro-3-pyridinyl)amino]cyclohexanecarbonyl]-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121435639
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3-methyl-1,2-benzoxazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436401
1-(3-bromo-4-fluorophenyl)-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222145
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
1-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3-phenylurea
CID 121436042
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 121456946
1-[4-(4-chlorophenyl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436787

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121436487) is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(NC2CCC(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)CC2)no1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QUCOCRAKBZMMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O4/c1-18-14-24(33-40-18)32-21-6-2-19(3-7-21)26(37)34-12-10-28(39,11-13-34)16-35-17-30-25-23(27(35)38)15-31-36(25)22-8-4-20(29)5-9-22/h4-5,8-9,14-15,17,19,21,39H,2-3,6-7,10-13,16H2,1H3,(H,32,33).
What are the key properties of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 549.61 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohexanecarbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121436487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).