4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C30H33N7O — CID 45483330

IUPAC4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCn1ccc2cccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)c21
InChIInChI=1S/C30H33N7O/c1-34-13-10-23-8-5-9-25(27(23)34)28-32-29(36-16-18-38-19-17-36)26-20-31-37(30(26)33-28)24-11-14-35(15-12-24)21-22-6-3-2-4-7-22/h2-10,13,20,24H,11-12,14-19,21H2,1H3
InChIKeyCSWCYAKVQTXBOF-UHFFFAOYSA-N
MW507.64 g/mol
LogP4.66
Rot. Bonds5

About 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 45483330) 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-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID45483330
Molecular FormulaC30H33N7O
Molecular Weight507.64 g/mol
Exact Mass507.27
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCn1ccc2cccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)c21
InChIInChI=1S/C30H33N7O/c1-34-13-10-23-8-5-9-25(27(23)34)28-32-29(36-16-18-38-19-17-36)26-20-31-37(30(26)33-28)24-11-14-35(15-12-24)21-22-6-3-2-4-7-22/h2-10,13,20,24H,11-12,14-19,21H2,1H3
InChIKeyCSWCYAKVQTXBOF-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-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 45483330) is 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is Cn1ccc2cccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)c21.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is CSWCYAKVQTXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c1-34-13-10-23-8-5-9-25(27(23)34)28-32-29(36-16-18-38-19-17-36)26-20-31-37(30(26)33-28)24-11-14-35(15-12-24)21-22-6-3-2-4-7-22/h2-10,13,20,24H,11-12,14-19,21H2,1H3.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(1-benzylpiperidin-4-yl)-6-(1-methylindol-7-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-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 45483330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).