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

C23H22N8O — CID 168920804

IUPAC4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc21
InChIInChI=1S/C23H22N8O/c1-2-31-21(15-6-8-24-9-7-15)26-19-22(30-10-12-32-13-11-30)27-20(28-23(19)31)16-4-3-5-18-17(16)14-25-29-18/h3-9,14H,2,10-13H2,1H3,(H,25,29)
InChIKeyPDUKGKCOPZMETL-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.29
Rot. Bonds4

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

4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (PubChem CID 168920804) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
PubChem CID168920804
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc21
InChIInChI=1S/C23H22N8O/c1-2-31-21(15-6-8-24-9-7-15)26-19-22(30-10-12-32-13-11-30)27-20(28-23(19)31)16-4-3-5-18-17(16)14-25-29-18/h3-9,14H,2,10-13H2,1H3,(H,25,29)
InChIKeyPDUKGKCOPZMETL-UHFFFAOYSA-N
XLogP3.29
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[9-ethyl-2-(4-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921480
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
[4-[[2-(1H-indazol-4-yl)-9-(2-methoxyethyl)-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]methanesulfinic acid
CID 174617578
4-[2-(1H-indazol-4-yl)-9-(2-methoxyethyl)-8-[(4-methylsulfonylpiperazin-1-yl)methyl]purin-6-yl]morpholine
CID 44543871
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
CID 71004484
(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-[2-(1H-indazol-4-yl)-6-(4-methoxy-3-pyridinyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593086
4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 46204597
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
4-[9-ethyl-2-(4-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921657
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921287

Frequently Asked Questions

What is the IUPAC name of 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine (CID 168920804) is 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc21.
What is the InChIKey of 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
The InChIKey is PDUKGKCOPZMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-2-31-21(15-6-8-24-9-7-15)26-19-22(30-10-12-32-13-11-30)27-20(28-23(19)31)16-4-3-5-18-17(16)14-25-29-18/h3-9,14H,2,10-13H2,1H3,(H,25,29).
What are the key properties of 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine?
4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine has a molecular weight of 426.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 168920804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).