4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C22H25N7O — CID 44520824

IUPAC4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1cc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCNCC5)c4n3)ccc2[nH]1
InChIInChI=1S/C22H25N7O/c1-2-19-15(3-8-24-19)13-16(1)20-26-21(28-9-11-30-12-10-28)18-14-25-29(22(18)27-20)17-4-6-23-7-5-17/h1-3,8,13-14,17,23-24H,4-7,9-12H2
InChIKeyHBUZKDNKAOMUML-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.74
Rot. Bonds3

About 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 44520824) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID44520824
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1cc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCNCC5)c4n3)ccc2[nH]1
InChIInChI=1S/C22H25N7O/c1-2-19-15(3-8-24-19)13-16(1)20-26-21(28-9-11-30-12-10-28)18-14-25-29(22(18)27-20)17-4-6-23-7-5-17/h1-3,8,13-14,17,23-24H,4-7,9-12H2
InChIKeyHBUZKDNKAOMUML-UHFFFAOYSA-N
XLogP2.74
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 44520824) is 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is c1cc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCNCC5)c4n3)ccc2[nH]1.
What is the InChIKey of 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is HBUZKDNKAOMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-2-19-15(3-8-24-19)13-16(1)20-26-21(28-9-11-30-12-10-28)18-14-25-29(22(18)27-20)17-4-6-23-7-5-17/h1-3,8,13-14,17,23-24H,4-7,9-12H2.
What are the key properties of 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 44520824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).