[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol

C20H25N7O2 — CID 68637908

IUPAC[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3nnn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C20H25N7O2/c28-13-14-2-1-3-15(12-14)18-22-19(26-8-10-29-11-9-26)17-20(23-18)27(25-24-17)16-4-6-21-7-5-16/h1-3,12,16,21,28H,4-11,13H2
InChIKeyJZJDUKMXPVMOBH-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.14
Rot. Bonds4

About [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol

[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol (PubChem CID 68637908) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol
PubChem CID68637908
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3nnn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C20H25N7O2/c28-13-14-2-1-3-15(12-14)18-22-19(26-8-10-29-11-9-26)17-20(23-18)27(25-24-17)16-4-6-21-7-5-16/h1-3,12,16,21,28H,4-11,13H2
InChIKeyJZJDUKMXPVMOBH-UHFFFAOYSA-N
XLogP1.14
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
2-[5-[3-(hydroxymethyl)phenyl]-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl]-N-pyridin-3-ylacetamide
CID 68639132
[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
CID 25072769
4-[5-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl]piperidine-1-carboxylic acid
CID 68629876
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
N,N-diethyl-4-[[5-(3-hydroxyphenyl)-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl]methyl]benzamide
CID 69079948
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
CID 68866380
N-(2-acetamidoethyl)-4-[[5-(3-hydroxyphenyl)-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-3-yl]methyl]benzamide
CID 68639119
1-[2-(dimethylamino)ethyl]-3-[4-[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 68640323
3-[[4-(4-morpholin-4-yl-6-phenylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenol
CID 141218936

Frequently Asked Questions

What is the IUPAC name of [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol?
The IUPAC name of [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol (CID 68637908) is [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol.
What is the SMILES notation for [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol?
The canonical SMILES for [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3nnn(C4CCNCC4)c3n2)c1.
What is the InChIKey of [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol?
The InChIKey is JZJDUKMXPVMOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c28-13-14-2-1-3-15(12-14)18-22-19(26-8-10-29-11-9-26)17-20(23-18)27(25-24-17)16-4-6-21-7-5-16/h1-3,12,16,21,28H,4-11,13H2.
What are the key properties of [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol?
[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol has a molecular weight of 395.47 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol is sourced from PubChem (CID 68637908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).