4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine

C17H22N8O2 — CID 168920860

IUPAC4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine
SMILESCn1c(-c2ccn[nH]2)nc2c(N3CCOCC3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H22N8O2/c1-23-14(12-2-3-18-22-12)19-13-15(23)20-17(25-6-10-27-11-7-25)21-16(13)24-4-8-26-9-5-24/h2-3H,4-11H2,1H3,(H,18,22)
InChIKeyIXDLHDOVUUTELJ-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.43
Rot. Bonds3

About 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine

4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine (PubChem CID 168920860) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine
PubChem CID168920860
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine
SMILESCn1c(-c2ccn[nH]2)nc2c(N3CCOCC3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H22N8O2/c1-23-14(12-2-3-18-22-12)19-13-15(23)20-17(25-6-10-27-11-7-25)21-16(13)24-4-8-26-9-5-24/h2-3H,4-11H2,1H3,(H,18,22)
InChIKeyIXDLHDOVUUTELJ-UHFFFAOYSA-N
XLogP0.43
TPSA97.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine 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

(S)-3-Methyl-4-(7-((R)-3-methylmorpholino)-2-(1H-pyrazol-3-yl)thiazolo[5,4-d]pyrimidin-5-yl)morpholine
CID 145996536
2-((S)-3-Methyl-morpholin-4-yl)-6-((R)-methyl-morpholin-4-yl)-8-(1H-pyrazol-3-yl)-9H-purine
CID 136235586
(3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 155522220
(3R)-3-methyl-4-[5-(morpholin-4-ylmethyl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 155533127
(3R)-3-methyl-4-[5-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 155543833
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-7H-purin-6-yl]morpholine
CID 136235587
(3R)-3-methyl-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-7H-purin-6-yl]morpholine
CID 136235588
(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine
CID 168429815
5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-pyrimidin-4-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-7-amine
CID 69368453
5-[(3S)-3-ethylpiperazin-1-yl]-N-pyrimidin-4-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-7-amine
CID 69368490
5-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-N-pyrimidin-4-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-7-amine
CID 69368509
5-[(3R)-3-methylpiperazin-1-yl]-N-pyrimidin-4-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-7-amine
CID 69369578

Frequently Asked Questions

What is the IUPAC name of 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine?
The IUPAC name of 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine (CID 168920860) is 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine.
What is the SMILES notation for 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine?
The canonical SMILES for 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine is Cn1c(-c2ccn[nH]2)nc2c(N3CCOCC3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine?
The InChIKey is IXDLHDOVUUTELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-23-14(12-2-3-18-22-12)19-13-15(23)20-17(25-6-10-27-11-7-25)21-16(13)24-4-8-26-9-5-24/h2-3H,4-11H2,1H3,(H,18,22).
What are the key properties of 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine?
4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine has a molecular weight of 370.42 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine is sourced from PubChem (CID 168920860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).