4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine

C20H22N8O — CID 168921077

IUPAC4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1ccc(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(C)c3n2)n1
InChIInChI=1S/C20H22N8O/c1-3-28-9-6-15(25-28)17-23-19-16(20(24-17)27-10-12-29-13-11-27)22-18(26(19)2)14-4-7-21-8-5-14/h4-9H,3,10-13H2,1-2H3
InChIKeyIUXDTJXFWDSYKJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.15
Rot. Bonds4

About 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine

4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine (PubChem CID 168921077) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
PubChem CID168921077
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1ccc(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(C)c3n2)n1
InChIInChI=1S/C20H22N8O/c1-3-28-9-6-15(25-28)17-23-19-16(20(24-17)27-10-12-29-13-11-27)22-18(26(19)2)14-4-7-21-8-5-14/h4-9H,3,10-13H2,1-2H3
InChIKeyIUXDTJXFWDSYKJ-UHFFFAOYSA-N
XLogP2.15
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-(3-bromopyrazol-1-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921204
N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide
CID 162379149
4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921146
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
tert-butyl 3-[4-(9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 162379193
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-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921480
4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920804
4-[2-chloro-9-(methylsulfonylmethyl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921437
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921287
4-[9-ethyl-8-iodo-2-[3-(1-methylpyrazol-3-yl)phenyl]purin-6-yl]morpholine
CID 168921038
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine (CID 168921077) is 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine is CCn1ccc(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(C)c3n2)n1.
What is the InChIKey of 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine?
The InChIKey is IUXDTJXFWDSYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-3-28-9-6-15(25-28)17-23-19-16(20(24-17)27-10-12-29-13-11-27)22-18(26(19)2)14-4-7-21-8-5-14/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine?
4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine has a molecular weight of 390.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 168921077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).