1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C30H28FN7O4 — CID 121435698

IUPAC1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-n4ncc5c4CCOC5)cc3)c2=O)CC1
InChIInChI=1S/C30H28FN7O4/c31-22-3-1-20(2-4-22)28(39)35-12-10-30(41,11-13-35)18-36-19-32-27-25(29(36)40)16-34-38(27)24-7-5-23(6-8-24)37-26-9-14-42-17-21(26)15-33-37/h1-8,15-16,19,41H,9-14,17-18H2
InChIKeyJRBBUUIMPXARHD-UHFFFAOYSA-N
MW569.60 g/mol
LogP2.65
Rot. Bonds5

About 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121435698) has the molecular formula C30H28FN7O4 and a molecular weight of 569.60 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121435698
Molecular FormulaC30H28FN7O4
Molecular Weight569.60 g/mol
Exact Mass569.22
IUPAC Name1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-n4ncc5c4CCOC5)cc3)c2=O)CC1
InChIInChI=1S/C30H28FN7O4/c31-22-3-1-20(2-4-22)28(39)35-12-10-30(41,11-13-35)18-36-19-32-27-25(29(36)40)16-34-38(27)24-7-5-23(6-8-24)37-26-9-14-42-17-21(26)15-33-37/h1-8,15-16,19,41H,9-14,17-18H2
InChIKeyJRBBUUIMPXARHD-UHFFFAOYSA-N
XLogP2.65
TPSA120.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

Methyl 3-fluoro-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162667031
Methyl 4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162668878
Methyl 3-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162646990
Methyl 2-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162648069
1-(4-Fluorophenyl)-5-[[4-hydroxy-1-[1-methyl-3-(1-phenylethyl)pyrazole-4-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435661
Methyl-4-(5-((1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl)methyl)-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzoate
CID 121435665
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[1-methyl-3-[(1R)-1-phenylethyl]pyrazole-4-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435666
1-(4-Fluorophenyl)-5-[[4-hydroxy-1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435687
5-[[1-(4-Fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(triazol-1-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435726
5-[(1-Benzoyl-4-hydroxypiperidin-4-yl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435728
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435811
5-[[1-(4-Fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(pyridin-2-ylmethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121435698) is 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(-n4ncc5c4CCOC5)cc3)c2=O)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JRBBUUIMPXARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7O4/c31-22-3-1-20(2-4-22)28(39)35-12-10-30(41,11-13-35)18-36-19-32-27-25(29(36)40)16-34-38(27)24-7-5-23(6-8-24)37-26-9-14-42-17-21(26)15-33-37/h1-8,15-16,19,41H,9-14,17-18H2.
What are the key properties of 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 569.60 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)phenyl]-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121435698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).