1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

C17H27N7 — CID 50795404

IUPAC1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCCCN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C17H27N7/c1-3-6-22-9-11-24(12-10-22)17-19-15-14(13-18-21(15)2)16(20-17)23-7-4-5-8-23/h13H,3-12H2,1-2H3
InChIKeyMCWVJPXUSOIRIK-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.50
Rot. Bonds4

About 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 50795404) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID50795404
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCCCN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C17H27N7/c1-3-6-22-9-11-24(12-10-22)17-19-15-14(13-18-21(15)2)16(20-17)23-7-4-5-8-23/h13H,3-12H2,1-2H3
InChIKeyMCWVJPXUSOIRIK-UHFFFAOYSA-N
XLogP1.50
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 50795404) is 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is CCCN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1.
What is the InChIKey of 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is MCWVJPXUSOIRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-3-6-22-9-11-24(12-10-22)17-19-15-14(13-18-21(15)2)16(20-17)23-7-4-5-8-23/h13H,3-12H2,1-2H3.
What are the key properties of 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 329.45 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 50795404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).