3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol

C27H31N7O3 — CID 25073385

IUPAC3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol
SMILESCOc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cccc(O)c5)nc43)CC2)cn1
InChIInChI=1S/C27H31N7O3/c1-36-23-6-5-19(16-28-23)17-32-9-7-21(8-10-32)34-18-29-24-26(33-11-13-37-14-12-33)30-25(31-27(24)34)20-3-2-4-22(35)15-20/h2-6,15-16,18,21,35H,7-14,17H2,1H3
InChIKeyOEKPVDAQJATZGK-UHFFFAOYSA-N
MW501.59 g/mol
LogP3.28
Rot. Bonds6

About 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol

3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol (PubChem CID 25073385) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol.

Molecular Properties

Compound Name3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol
PubChem CID25073385
Molecular FormulaC27H31N7O3
Molecular Weight501.59 g/mol
Exact Mass501.25
IUPAC Name3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol
SMILESCOc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cccc(O)c5)nc43)CC2)cn1
InChIInChI=1S/C27H31N7O3/c1-36-23-6-5-19(16-28-23)17-32-9-7-21(8-10-32)34-18-29-24-26(33-11-13-37-14-12-33)30-25(31-27(24)34)20-3-2-4-22(35)15-20/h2-6,15-16,18,21,35H,7-14,17H2,1H3
InChIKeyOEKPVDAQJATZGK-UHFFFAOYSA-N
XLogP3.28
TPSA101.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol 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

CID 5329413
CID 5329413
CID 42629702
CID 42629702
CID 44232672
CID 44232672
CID 135336092
CID 135336092
CID 135336101
CID 135336101
CID 10479214
CID 10479214
CID 46178283
CID 46178283
CID 11697270
CID 11697270
CID 71520979
CID 71520979
CID 90654466
CID 90654466
CID 663751
CID 663751
CID 3240281
CID 3240281

Frequently Asked Questions

What is the IUPAC name of 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol?
The IUPAC name of 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol (CID 25073385) is 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol.
What is the SMILES notation for 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol?
The canonical SMILES for 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol is COc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cccc(O)c5)nc43)CC2)cn1.
What is the InChIKey of 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol?
The InChIKey is OEKPVDAQJATZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3/c1-36-23-6-5-19(16-28-23)17-32-9-7-21(8-10-32)34-18-29-24-26(33-11-13-37-14-12-33)30-25(31-27(24)34)20-3-2-4-22(35)15-20/h2-6,15-16,18,21,35H,7-14,17H2,1H3.
What are the key properties of 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol?
3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol has a molecular weight of 501.59 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol is sourced from PubChem (CID 25073385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).