6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

C20H24N6O — CID 42670714

IUPAC6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2nc(C)c3c(N4CCNCC4)nc(C4CC4)nc32)cc1
InChIInChI=1S/C20H24N6O/c1-13-17-19(25-11-9-21-10-12-25)22-18(14-3-4-14)23-20(17)26(24-13)15-5-7-16(27-2)8-6-15/h5-8,14,21H,3-4,9-12H2,1-2H3
InChIKeySUWMBTAFVKVGHE-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.42
Rot. Bonds4

About 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine

6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 42670714) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID42670714
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2nc(C)c3c(N4CCNCC4)nc(C4CC4)nc32)cc1
InChIInChI=1S/C20H24N6O/c1-13-17-19(25-11-9-21-10-12-25)22-18(14-3-4-14)23-20(17)26(24-13)15-5-7-16(27-2)8-6-15/h5-8,14,21H,3-4,9-12H2,1-2H3
InChIKeySUWMBTAFVKVGHE-UHFFFAOYSA-N
XLogP2.42
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine (CID 42670714) is 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is COc1ccc(-n2nc(C)c3c(N4CCNCC4)nc(C4CC4)nc32)cc1.
What is the InChIKey of 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is SUWMBTAFVKVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-17-19(25-11-9-21-10-12-25)22-18(14-3-4-14)23-20(17)26(24-13)15-5-7-16(27-2)8-6-15/h5-8,14,21H,3-4,9-12H2,1-2H3.
What are the key properties of 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine?
6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 364.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42670714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).