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

C20H22N8O2 — CID 168921657

IUPAC4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(OC)cn3)nc21
InChIInChI=1S/C20H22N8O2/c1-3-27-17(14-4-6-21-7-5-14)23-16-18(26-8-10-30-11-9-26)24-20(25-19(16)27)28-13-15(29-2)12-22-28/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyMPLDXRBTYGPLIM-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.94
Rot. Bonds5

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

4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (PubChem CID 168921657) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
PubChem CID168921657
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(OC)cn3)nc21
InChIInChI=1S/C20H22N8O2/c1-3-27-17(14-4-6-21-7-5-14)23-16-18(26-8-10-30-11-9-26)24-20(25-19(16)27)28-13-15(29-2)12-22-28/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyMPLDXRBTYGPLIM-UHFFFAOYSA-N
XLogP1.94
TPSA96.01 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
CID 168921646
4-[9-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920984
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921287
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591
4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920940
9-ethyl-6-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)purine-8-carboxylic acid
CID 168920778
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-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921146
4-[2-(3-bromopyrazol-1-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921204

Frequently Asked Questions

What is the IUPAC name of 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (CID 168921657) is 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(OC)cn3)nc21.
What is the InChIKey of 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The InChIKey is MPLDXRBTYGPLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-3-27-17(14-4-6-21-7-5-14)23-16-18(26-8-10-30-11-9-26)24-20(25-19(16)27)28-13-15(29-2)12-22-28/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine has a molecular weight of 406.45 g/mol, XLogP of 1.94, 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-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 168921657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).