1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol

C23H26N8O2 — CID 168921646

IUPAC1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(C4(O)CCC4)cn3)nc21
InChIInChI=1S/C23H26N8O2/c1-2-30-19(16-4-8-24-9-5-16)26-18-20(29-10-12-33-13-11-29)27-22(28-21(18)30)31-15-17(14-25-31)23(32)6-3-7-23/h4-5,8-9,14-15,32H,2-3,6-7,10-13H2,1H3
InChIKeyGHBWWIFYTIXNRO-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.30
Rot. Bonds5

About 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol

1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol (PubChem CID 168921646) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
PubChem CID168921646
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
SMILESCCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(C4(O)CCC4)cn3)nc21
InChIInChI=1S/C23H26N8O2/c1-2-30-19(16-4-8-24-9-5-16)26-18-20(29-10-12-33-13-11-29)27-22(28-21(18)30)31-15-17(14-25-31)23(32)6-3-7-23/h4-5,8-9,14-15,32H,2-3,6-7,10-13H2,1H3
InChIKeyGHBWWIFYTIXNRO-UHFFFAOYSA-N
XLogP2.30
TPSA107.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.30
H-Bond Donors ≤ 51
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-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-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920940
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212
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
9-ethyl-6-piperidin-1-yl-8-pyridin-4-ylpurin-2-amine
CID 168921464
4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921146

Frequently Asked Questions

What is the IUPAC name of 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol?
The IUPAC name of 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol (CID 168921646) is 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol is CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(C4(O)CCC4)cn3)nc21.
What is the InChIKey of 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol?
The InChIKey is GHBWWIFYTIXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-2-30-19(16-4-8-24-9-5-16)26-18-20(29-10-12-33-13-11-29)27-22(28-21(18)30)31-15-17(14-25-31)23(32)6-3-7-23/h4-5,8-9,14-15,32H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol?
1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol has a molecular weight of 446.52 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 168921646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).