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

C15H23N7 — CID 29136870

IUPAC1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C15H23N7/c1-19-7-9-22(10-8-19)15-17-13-12(11-16-20(13)2)14(18-15)21-5-3-4-6-21/h11H,3-10H2,1-2H3
InChIKeyDFBFDRZHAVAEKE-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.72
Rot. Bonds2

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

1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 29136870) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID29136870
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C15H23N7/c1-19-7-9-22(10-8-19)15-17-13-12(11-16-20(13)2)14(18-15)21-5-3-4-6-21/h11H,3-10H2,1-2H3
InChIKeyDFBFDRZHAVAEKE-UHFFFAOYSA-N
XLogP0.72
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.72
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-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 29136870) is 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is CN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1.
What is the InChIKey of 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DFBFDRZHAVAEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-19-7-9-22(10-8-19)15-17-13-12(11-16-20(13)2)14(18-15)21-5-3-4-6-21/h11H,3-10H2,1-2H3.
What are the key properties of 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 301.40 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 29136870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).