6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one

C20H22N6O2 — CID 126951772

IUPAC6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Oc3cccc4[nH]ccc34)CC2)nc2c(cnn2C)c1=O
InChIInChI=1S/C20H22N6O2/c1-24-19(27)15-12-22-25(2)18(15)23-20(24)26-10-7-13(8-11-26)28-17-5-3-4-16-14(17)6-9-21-16/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3
InChIKeyWSFCJLDOTMLARO-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.20
Rot. Bonds3

About 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one

6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126951772) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126951772
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC(Oc3cccc4[nH]ccc34)CC2)nc2c(cnn2C)c1=O
InChIInChI=1S/C20H22N6O2/c1-24-19(27)15-12-22-25(2)18(15)23-20(24)26-10-7-13(8-11-26)28-17-5-3-4-16-14(17)6-9-21-16/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3
InChIKeyWSFCJLDOTMLARO-UHFFFAOYSA-N
XLogP2.20
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole
CID 126951554
4-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxy-1H-indole
CID 126951558
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one (CID 126951772) is 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one is Cn1c(N2CCC(Oc3cccc4[nH]ccc34)CC2)nc2c(cnn2C)c1=O.
What is the InChIKey of 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WSFCJLDOTMLARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-24-19(27)15-12-22-25(2)18(15)23-20(24)26-10-7-13(8-11-26)28-17-5-3-4-16-14(17)6-9-21-16/h3-6,9,12-13,21H,7-8,10-11H2,1-2H3.
What are the key properties of 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one?
6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 378.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126951772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).