1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C19H22N6O3 — CID 119043339

IUPAC1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(OC2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)nc1
InChIInChI=1S/C19H22N6O3/c1-13-3-4-16(20-9-13)28-14-5-7-24(8-6-14)17(26)11-25-12-21-18-15(19(25)27)10-22-23(18)2/h3-4,9-10,12,14H,5-8,11H2,1-2H3
InChIKeyZYRMEYKAWIAYII-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.90
Rot. Bonds4

About 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 119043339) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID119043339
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(OC2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)nc1
InChIInChI=1S/C19H22N6O3/c1-13-3-4-16(20-9-13)28-14-5-7-24(8-6-14)17(26)11-25-12-21-18-15(19(25)27)10-22-23(18)2/h3-4,9-10,12,14H,5-8,11H2,1-2H3
InChIKeyZYRMEYKAWIAYII-UHFFFAOYSA-N
XLogP0.90
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 134036516
5-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55646125
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17447658
4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 84600424
5-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 22110276
1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 43039794
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CID 42323996
1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione
CID 90559993
2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide
CID 55497955
3-[2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 154583961
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 119043339) is 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(OC2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)nc1.
What is the InChIKey of 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZYRMEYKAWIAYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13-3-4-16(20-9-13)28-14-5-7-24(8-6-14)17(26)11-25-12-21-18-15(19(25)27)10-22-23(18)2/h3-4,9-10,12,14H,5-8,11H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 382.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 119043339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).