4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine

C20H21N7O2 — CID 175902295

IUPAC4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine
SMILESCOc1nn(-c2nc(N3CCOCC3)c3[nH]c(C)nc3n2)cc1-c1ccccc1
InChIInChI=1S/C20H21N7O2/c1-13-21-16-17(22-13)23-20(24-18(16)26-8-10-29-11-9-26)27-12-15(19(25-27)28-2)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,21,22,23,24)
InChIKeyGEELMHRAVFWANK-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.36
Rot. Bonds4

About 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine

4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine (PubChem CID 175902295) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine
PubChem CID175902295
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine
SMILESCOc1nn(-c2nc(N3CCOCC3)c3[nH]c(C)nc3n2)cc1-c1ccccc1
InChIInChI=1S/C20H21N7O2/c1-13-21-16-17(22-13)23-20(24-18(16)26-8-10-29-11-9-26)27-12-15(19(25-27)28-2)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,21,22,23,24)
InChIKeyGEELMHRAVFWANK-UHFFFAOYSA-N
XLogP2.36
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine?
The IUPAC name of 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine (CID 175902295) is 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine?
The canonical SMILES for 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine is COc1nn(-c2nc(N3CCOCC3)c3[nH]c(C)nc3n2)cc1-c1ccccc1.
What is the InChIKey of 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine?
The InChIKey is GEELMHRAVFWANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-13-21-16-17(22-13)23-20(24-18(16)26-8-10-29-11-9-26)27-12-15(19(25-27)28-2)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,21,22,23,24).
What are the key properties of 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine?
4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine has a molecular weight of 391.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxy-4-phenylpyrazol-1-yl)-8-methyl-7H-purin-6-yl]morpholine is sourced from PubChem (CID 175902295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).