4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine

C24H28N8O2 — CID 168920984

IUPAC4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ccc(C4CCOCC4)n3)nc21
InChIInChI=1S/C24H28N8O2/c1-2-31-21(18-3-8-25-9-4-18)26-20-22(30-11-15-34-16-12-30)27-24(28-23(20)31)32-10-5-19(29-32)17-6-13-33-14-7-17/h3-5,8-10,17H,2,6-7,11-16H2,1H3
InChIKeyPCKLDLRZVGCZSN-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.82
Rot. Bonds5

About 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine

4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine (PubChem CID 168920984) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
PubChem CID168920984
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ccc(C4CCOCC4)n3)nc21
InChIInChI=1S/C24H28N8O2/c1-2-31-21(18-3-8-25-9-4-18)26-20-22(30-11-15-34-16-12-30)27-24(28-23(20)31)32-10-5-19(29-32)17-6-13-33-14-7-17/h3-5,8-10,17H,2,6-7,11-16H2,1H3
InChIKeyPCKLDLRZVGCZSN-UHFFFAOYSA-N
XLogP2.82
TPSA96.01 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921657
4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920940
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921287
1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
CID 168921646
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591
4-[2-(3-bromopyrazol-1-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921204
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212
4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921146
4-[9-methyl-8-pyridin-2-yl-2-(3-pyrrolidin-3-ylpyrazol-1-yl)purin-6-yl]morpholine
CID 168921313
4-[9-ethyl-2-(4-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921480
9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
CID 168921464

Frequently Asked Questions

What is the IUPAC name of 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine (CID 168920984) is 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine is CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ccc(C4CCOCC4)n3)nc21.
What is the InChIKey of 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine?
The InChIKey is PCKLDLRZVGCZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-2-31-21(18-3-8-25-9-4-18)26-20-22(30-11-15-34-16-12-30)27-24(28-23(20)31)32-10-5-19(29-32)17-6-13-33-14-7-17/h3-5,8-10,17H,2,6-7,11-16H2,1H3.
What are the key properties of 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine?
4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine has a molecular weight of 460.54 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 168920984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).