1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C17H26N6 — CID 56816158

IUPAC1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC(CN3CCCC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6/c1-13-19-16-15(11-18-21(16)2)17(20-13)23-9-5-14(6-10-23)12-22-7-3-4-8-22/h11,14H,3-10,12H2,1-2H3
InChIKeyVFEKNKIUPMBLRC-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.98
Rot. Bonds3

About 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 56816158) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID56816158
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC(CN3CCCC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6/c1-13-19-16-15(11-18-21(16)2)17(20-13)23-9-5-14(6-10-23)12-22-7-3-4-8-22/h11,14H,3-10,12H2,1-2H3
InChIKeyVFEKNKIUPMBLRC-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 56816158) is 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCC(CN3CCCC3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is VFEKNKIUPMBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-19-16-15(11-18-21(16)2)17(20-13)23-9-5-14(6-10-23)12-22-7-3-4-8-22/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 314.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56816158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).