[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol

C27H31N7O2 — CID 25071518

IUPAC[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccn5)CC4)c3n2)c1
InChIInChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2
InChIKeyFTMXCPSPLOHTFQ-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.05
Rot. Bonds6

About [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol

[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol (PubChem CID 25071518) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
PubChem CID25071518
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccn5)CC4)c3n2)c1
InChIInChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2
InChIKeyFTMXCPSPLOHTFQ-UHFFFAOYSA-N
XLogP3.05
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol 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-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
(3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
CID 25070551
1-(4-(2-(3-(hydroxymethyl)phenyl)-6-morpholino-9H-purin-9-yl)piperidin-1-yl)ethanone
CID 25070552
(3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25070555
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25070882
5-(9-(1-(4-methylbenzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)pyridin-3-ol
CID 25071208
(3-(9-(1-(2-fluorobenzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25071519
(3-(9-(1-(4-fluorobenzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25071520
3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073081
3-(9-(1-((6-methoxypyridin-3-yl)methyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25073385
3-(6-morpholino-9-(1-((6-morpholinopyridin-3-yl)methyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073388
[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
CID 42635322

Frequently Asked Questions

What is the IUPAC name of [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
The IUPAC name of [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol (CID 25071518) is [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccn5)CC4)c3n2)c1.
What is the InChIKey of [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
The InChIKey is FTMXCPSPLOHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c35-18-20-4-3-5-21(16-20)25-30-26(33-12-14-36-15-13-33)24-27(31-25)34(19-29-24)23-7-10-32(11-8-23)17-22-6-1-2-9-28-22/h1-6,9,16,19,23,35H,7-8,10-15,17-18H2.
What are the key properties of [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
[3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol has a molecular weight of 485.59 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-morpholin-4-yl-9-[1-(pyridin-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol is sourced from PubChem (CID 25071518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).