4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine

C24H24N8O — CID 168921287

IUPAC4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ncc4cc(C)ccc43)nc21
InChIInChI=1S/C24H24N8O/c1-3-31-21(17-6-8-25-9-7-17)27-20-22(30-10-12-33-13-11-30)28-24(29-23(20)31)32-19-5-4-16(2)14-18(19)15-26-32/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyXTTJAQXMTHAWHY-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.39
Rot. Bonds4

About 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine

4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (PubChem CID 168921287) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
PubChem CID168921287
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ncc4cc(C)ccc43)nc21
InChIInChI=1S/C24H24N8O/c1-3-31-21(17-6-8-25-9-7-17)27-20-22(30-10-12-33-13-11-30)28-24(29-23(20)31)32-19-5-4-16(2)14-18(19)15-26-32/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyXTTJAQXMTHAWHY-UHFFFAOYSA-N
XLogP3.39
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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-ethyl-2-[3-(oxan-4-yl)pyrazol-1-yl]-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920984
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-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921146
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212
4-[9-ethyl-2-(4-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921480
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591
4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920804
4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920940
9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
CID 168921464
(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

Frequently Asked Questions

What is the IUPAC name of 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (CID 168921287) is 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ncc4cc(C)ccc43)nc21.
What is the InChIKey of 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The InChIKey is XTTJAQXMTHAWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-3-31-21(17-6-8-25-9-7-17)27-20-22(30-10-12-33-13-11-30)28-24(29-23(20)31)32-19-5-4-16(2)14-18(19)15-26-32/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine has a molecular weight of 440.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 168921287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).