5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C25H23N7O3 — CID 121436816

IUPAC5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc2cn[nH]c2c1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)CC1
InChIInChI=1S/C25H23N7O3/c33-23(17-6-7-18-13-27-29-21(18)12-17)30-10-8-25(35,9-11-30)15-31-16-26-22-20(24(31)34)14-28-32(22)19-4-2-1-3-5-19/h1-7,12-14,16,35H,8-11,15H2,(H,27,29)
InChIKeyJVUAGTDDVYLVCP-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.13
Rot. Bonds4

About 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121436816) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121436816
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc2cn[nH]c2c1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)CC1
InChIInChI=1S/C25H23N7O3/c33-23(17-6-7-18-13-27-29-21(18)12-17)30-10-8-25(35,9-11-30)15-31-16-26-22-20(24(31)34)14-28-32(22)19-4-2-1-3-5-19/h1-7,12-14,16,35H,8-11,15H2,(H,27,29)
InChIKeyJVUAGTDDVYLVCP-UHFFFAOYSA-N
XLogP2.13
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
5-[[4-hydroxy-1-[4-(1-hydroxycyclopropyl)benzoyl]piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436309
[4-[4-hydroxy-4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]boronic acid
CID 131748506
5-[[1-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814
1-(3-bromophenyl)-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222107
5-[[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121437006
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436830
1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435829
5-[[1-(3,4-dihydro-2H-chromene-6-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121436291
1-(1-cyclopropylpyrazol-4-yl)-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436599
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2-methoxyethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436359

Frequently Asked Questions

What is the IUPAC name of 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 121436816) is 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=C(c1ccc2cn[nH]c2c1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)CC1.
What is the InChIKey of 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JVUAGTDDVYLVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c33-23(17-6-7-18-13-27-29-21(18)12-17)30-10-8-25(35,9-11-30)15-31-16-26-22-20(24(31)34)14-28-32(22)19-4-2-1-3-5-19/h1-7,12-14,16,35H,8-11,15H2,(H,27,29).
What are the key properties of 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 469.51 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121436816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).