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

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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).