4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C30H33N7O — CID 44520823

IUPAC4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCn1ccc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)ccc21
InChIInChI=1S/C30H33N7O/c1-34-12-9-23-19-24(7-8-27(23)34)28-32-29(36-15-17-38-18-16-36)26-20-31-37(30(26)33-28)25-10-13-35(14-11-25)21-22-5-3-2-4-6-22/h2-9,12,19-20,25H,10-11,13-18,21H2,1H3
InChIKeyZTCDPONKZPHZEK-UHFFFAOYSA-N
MW507.64 g/mol
LogP4.66
Rot. Bonds5

About 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 44520823) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID44520823
Molecular FormulaC30H33N7O
Molecular Weight507.64 g/mol
Exact Mass507.27
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCn1ccc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)ccc21
InChIInChI=1S/C30H33N7O/c1-34-12-9-23-19-24(7-8-27(23)34)28-32-29(36-15-17-38-18-16-36)26-20-31-37(30(26)33-28)25-10-13-35(14-11-25)21-22-5-3-2-4-6-22/h2-9,12,19-20,25H,10-11,13-18,21H2,1H3
InChIKeyZTCDPONKZPHZEK-UHFFFAOYSA-N
XLogP4.66
TPSA64.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 44520823) is 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is Cn1ccc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)ccc21.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is ZTCDPONKZPHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c1-34-12-9-23-19-24(7-8-27(23)34)28-32-29(36-15-17-38-18-16-36)26-20-31-37(30(26)33-28)25-10-13-35(14-11-25)21-22-5-3-2-4-6-22/h2-9,12,19-20,25H,10-11,13-18,21H2,1H3.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 507.64 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-5-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 44520823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).