4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine

C21H22N8O — CID 168920940

IUPAC4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESc1cnn(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(CC4CC4)c3n2)c1
InChIInChI=1S/C21H22N8O/c1-6-23-29(9-1)21-25-19(27-10-12-30-13-11-27)17-20(26-21)28(14-15-2-3-15)18(24-17)16-4-7-22-8-5-16/h1,4-9,15H,2-3,10-14H2
InChIKeyVPTSVHAWCIIHLE-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.32
Rot. Bonds5

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

4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine (PubChem CID 168920940) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
PubChem CID168920940
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
SMILESc1cnn(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(CC4CC4)c3n2)c1
InChIInChI=1S/C21H22N8O/c1-6-23-29(9-1)21-25-19(27-10-12-30-13-11-27)17-20(26-21)28(14-15-2-3-15)18(24-17)16-4-7-22-8-5-16/h1,4-9,15H,2-3,10-14H2
InChIKeyVPTSVHAWCIIHLE-UHFFFAOYSA-N
XLogP2.32
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-methoxypyrazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921657
1-[1-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrazol-4-yl]cyclobutan-1-ol
CID 168921646
4-[2-(3-bromopyrazol-1-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921204
4-[9-ethyl-2-(5-methylindazol-1-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921287
4-[2-chloro-9-(methylsulfonylmethyl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921437
9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920804
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

Frequently Asked Questions

What is the IUPAC name of 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine?
The IUPAC name of 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine (CID 168920940) is 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine.
What is the SMILES notation for 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine?
The canonical SMILES for 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine is c1cnn(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(CC4CC4)c3n2)c1.
What is the InChIKey of 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine?
The InChIKey is VPTSVHAWCIIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-6-23-29(9-1)21-25-19(27-10-12-30-13-11-27)17-20(26-21)28(14-15-2-3-15)18(24-17)16-4-7-22-8-5-16/h1,4-9,15H,2-3,10-14H2.
What are the key properties of 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine?
4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine has a molecular weight of 402.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine is sourced from PubChem (CID 168920940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).