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

C25H22ClN7O3 — CID 121436879

IUPAC1-(4-chlorophenyl)-5-[[4-hydroxy-1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc2nccn2c1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1
InChIInChI=1S/C25H22ClN7O3/c26-18-2-4-19(5-3-18)33-22-20(13-29-33)24(35)32(16-28-22)15-25(36)7-10-30(11-8-25)23(34)17-1-6-21-27-9-12-31(21)14-17/h1-6,9,12-14,16,36H,7-8,10-11,15H2
InChIKeyHOPVSPWQSIXVHO-UHFFFAOYSA-N
MW503.95 g/mol
LogP2.55
Rot. Bonds4

About 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

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 (PubChem CID 121436879) has the molecular formula C25H22ClN7O3 and a molecular weight of 503.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[[4-hydroxy-1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121436879
Molecular FormulaC25H22ClN7O3
Molecular Weight503.95 g/mol
Exact Mass503.15
IUPAC Name1-(4-chlorophenyl)-5-[[4-hydroxy-1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc2nccn2c1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1
InChIInChI=1S/C25H22ClN7O3/c26-18-2-4-19(5-3-18)33-22-20(13-29-33)24(35)32(16-28-22)15-25(36)7-10-30(11-8-25)23(34)17-1-6-21-27-9-12-31(21)14-17/h1-6,9,12-14,16,36H,7-8,10-11,15H2
InChIKeyHOPVSPWQSIXVHO-UHFFFAOYSA-N
XLogP2.55
TPSA110.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.95
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
1-[4-(4-chlorophenyl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436787
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
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-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436816
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2-methoxyethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436359
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
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-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(c1ccc2nccn2c1)N1CCC(O)(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1.
What is the InChIKey of 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?
The InChIKey is HOPVSPWQSIXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O3/c26-18-2-4-19(5-3-18)33-22-20(13-29-33)24(35)32(16-28-22)15-25(36)7-10-30(11-8-25)23(34)17-1-6-21-27-9-12-31(21)14-17/h1-6,9,12-14,16,36H,7-8,10-11,15H2.
What are the key properties of 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?
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 has a molecular weight of 503.95 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121436879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).