4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C30H31N7O — CID 25196900

IUPAC4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cnc6ccccc6c5)nc43)CC2)cc1
InChIInChI=1S/C30H31N7O/c1-2-6-22(7-3-1)21-35-12-10-25(11-13-35)37-30-26(20-32-37)29(36-14-16-38-17-15-36)33-28(34-30)24-18-23-8-4-5-9-27(23)31-19-24/h1-9,18-20,25H,10-17,21H2
InChIKeyXTCASNBTSQVTFE-UHFFFAOYSA-N
MW505.63 g/mol
LogP4.72
Rot. Bonds5

About 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 25196900) has the molecular formula C30H31N7O and a molecular weight of 505.63 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID25196900
Molecular FormulaC30H31N7O
Molecular Weight505.63 g/mol
Exact Mass505.26
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cnc6ccccc6c5)nc43)CC2)cc1
InChIInChI=1S/C30H31N7O/c1-2-6-22(7-3-1)21-35-12-10-25(11-13-35)37-30-26(20-32-37)29(36-14-16-38-17-15-36)33-28(34-30)24-18-23-8-4-5-9-27(23)31-19-24/h1-9,18-20,25H,10-17,21H2
InChIKeyXTCASNBTSQVTFE-UHFFFAOYSA-N
XLogP4.72
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 25196900) is 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is c1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cnc6ccccc6c5)nc43)CC2)cc1.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is XTCASNBTSQVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O/c1-2-6-22(7-3-1)21-35-12-10-25(11-13-35)37-30-26(20-32-37)29(36-14-16-38-17-15-36)33-28(34-30)24-18-23-8-4-5-9-27(23)31-19-24/h1-9,18-20,25H,10-17,21H2.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 505.63 g/mol, XLogP of 4.72, 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-quinolin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 25196900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).