5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol

C27H31N7O2 — CID 25071208

IUPAC5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol
SMILESCc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cncc(O)c5)nc43)CC2)cc1
InChIInChI=1S/C27H31N7O2/c1-19-2-4-20(5-3-19)17-32-8-6-22(7-9-32)34-18-29-24-26(33-10-12-36-13-11-33)30-25(31-27(24)34)21-14-23(35)16-28-15-21/h2-5,14-16,18,22,35H,6-13,17H2,1H3
InChIKeyCQIAVDKVGABVRK-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.58
Rot. Bonds5

About 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol

5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol (PubChem CID 25071208) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol
PubChem CID25071208
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol
SMILESCc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cncc(O)c5)nc43)CC2)cc1
InChIInChI=1S/C27H31N7O2/c1-19-2-4-20(5-3-19)17-32-8-6-22(7-9-32)34-18-29-24-26(33-10-12-36-13-11-33)30-25(31-27(24)34)21-14-23(35)16-28-15-21/h2-5,14-16,18,22,35H,6-13,17H2,1H3
InChIKeyCQIAVDKVGABVRK-UHFFFAOYSA-N
XLogP3.58
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol 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 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol?
The IUPAC name of 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol (CID 25071208) is 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol?
The canonical SMILES for 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol is Cc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cncc(O)c5)nc43)CC2)cc1.
What is the InChIKey of 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol?
The InChIKey is CQIAVDKVGABVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-19-2-4-20(5-3-19)17-32-8-6-22(7-9-32)34-18-29-24-26(33-10-12-36-13-11-33)30-25(31-27(24)34)21-14-23(35)16-28-15-21/h2-5,14-16,18,22,35H,6-13,17H2,1H3.
What are the key properties of 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol?
5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol has a molecular weight of 485.59 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]pyridin-3-ol is sourced from PubChem (CID 25071208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).