1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C21H20ClN7O3 — CID 121435829

IUPAC1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1
InChIInChI=1S/C21H20ClN7O3/c22-14-1-3-15(4-2-14)29-18-16(11-25-29)19(30)28(13-23-18)12-21(32)6-9-27(10-7-21)20(31)17-5-8-24-26-17/h1-5,8,11,13,32H,6-7,9-10,12H2,(H,24,26)
InChIKeyWEMXZNNXBFAVKU-UHFFFAOYSA-N
MW453.89 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121435829) has the molecular formula C21H20ClN7O3 and a molecular weight of 453.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121435829
Molecular FormulaC21H20ClN7O3
Molecular Weight453.89 g/mol
Exact Mass453.13
IUPAC Name1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1
InChIInChI=1S/C21H20ClN7O3/c22-14-1-3-15(4-2-14)29-18-16(11-25-29)19(30)28(13-23-18)12-21(32)6-9-27(10-7-21)20(31)17-5-8-24-26-17/h1-5,8,11,13,32H,6-7,9-10,12H2,(H,24,26)
InChIKeyWEMXZNNXBFAVKU-UHFFFAOYSA-N
XLogP1.63
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.89
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(4-chlorophenyl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436787
1-(4-chlorophenyl)-5-[[4-hydroxy-1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436879
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436816
4-hydroxy-4-[[1-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 121436374
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-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121436354
N-[(4-fluorophenyl)methyl]-4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxamide
CID 121436377
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 121456946
1-(3-bromophenyl)-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222107

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121435829) is 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=C(c1ccn[nH]1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WEMXZNNXBFAVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O3/c22-14-1-3-15(4-2-14)29-18-16(11-25-29)19(30)28(13-23-18)12-21(32)6-9-27(10-7-21)20(31)17-5-8-24-26-17/h1-5,8,11,13,32H,6-7,9-10,12H2,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 453.89 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[[4-hydroxy-1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121435829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).