5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde

C27H29N7O2 — CID 25070883

IUPAC5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde
SMILESO=Cc1cncc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccc5)CC4)c3n2)c1
InChIInChI=1S/C27H29N7O2/c35-18-21-14-22(16-28-15-21)25-30-26(33-10-12-36-13-11-33)24-27(31-25)34(19-29-24)23-6-8-32(9-7-23)17-20-4-2-1-3-5-20/h1-5,14-16,18-19,23H,6-13,17H2
InChIKeyFVYNKFAGXLTARL-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.37
Rot. Bonds6

About 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde

5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde (PubChem CID 25070883) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde
PubChem CID25070883
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde
SMILESO=Cc1cncc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccc5)CC4)c3n2)c1
InChIInChI=1S/C27H29N7O2/c35-18-21-14-22(16-28-15-21)25-30-26(33-10-12-36-13-11-33)24-27(31-25)34(19-29-24)23-6-8-32(9-7-23)17-20-4-2-1-3-5-20/h1-5,14-16,18-19,23H,6-13,17H2
InChIKeyFVYNKFAGXLTARL-UHFFFAOYSA-N
XLogP3.37
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-[9-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol
CID 25073083
[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
CID 25072769
4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 44550134
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
3-[[4-(4-morpholin-4-yl-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenol
CID 141218936
4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-N,N-dimethylbenzamide
CID 154330418
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-1-(dimethylamino)urea
CID 68865981
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]-2-fluorophenyl]-3-methylurea
CID 68865478
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-ethoxyurea
CID 25196220
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
CID 118243094
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 25195893

Frequently Asked Questions

What is the IUPAC name of 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde?
The IUPAC name of 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde (CID 25070883) is 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde is O=Cc1cncc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccc5)CC4)c3n2)c1.
What is the InChIKey of 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde?
The InChIKey is FVYNKFAGXLTARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c35-18-21-14-22(16-28-15-21)25-30-26(33-10-12-36-13-11-33)24-27(31-25)34(19-29-24)23-6-8-32(9-7-23)17-20-4-2-1-3-5-20/h1-5,14-16,18-19,23H,6-13,17H2.
What are the key properties of 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde?
5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde has a molecular weight of 483.58 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 25070883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).