4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine

C27H26N8O — CID 168921146

IUPAC4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-c3cc(-c4ccccc4)c(C)nn3)nc21
InChIInChI=1S/C27H26N8O/c1-3-35-25(20-9-11-28-12-10-20)29-23-26(34-13-15-36-16-14-34)30-24(31-27(23)35)22-17-21(18(2)32-33-22)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3
InChIKeyUMHDGVPDATUFRC-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.18
Rot. Bonds5

About 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine

4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (PubChem CID 168921146) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
PubChem CID168921146
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC Name4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-c3cc(-c4ccccc4)c(C)nn3)nc21
InChIInChI=1S/C27H26N8O/c1-3-35-25(20-9-11-28-12-10-20)29-23-26(34-13-15-36-16-14-34)30-24(31-27(23)35)22-17-21(18(2)32-33-22)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3
InChIKeyUMHDGVPDATUFRC-UHFFFAOYSA-N
XLogP4.18
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-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

4-[9-ethyl-2-(4-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921480
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
(1Z,3E)-3-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)-1-phenylbuta-1,3-diene-1,4-diamine
CID 168921334
4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920804
4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921077
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921287
4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920984
4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921657
9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
CID 168921464
1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
CID 168921646
4-[2-chloro-9-(methylsulfonylmethyl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921437
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 110172397

Frequently Asked Questions

What is the IUPAC name of 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (CID 168921146) is 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-c3cc(-c4ccccc4)c(C)nn3)nc21.
What is the InChIKey of 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The InChIKey is UMHDGVPDATUFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-3-35-25(20-9-11-28-12-10-20)29-23-26(34-13-15-36-16-14-34)30-24(31-27(23)35)22-17-21(18(2)32-33-22)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine has a molecular weight of 478.56 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 168921146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).