2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

C17H27N7O — CID 71225600

IUPAC2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCN1CCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc32)CC1
InChIInChI=1S/C17H27N7O/c1-17(2,3)16(25)21-14-13-11-20-24(15(13)19-12-18-14)10-9-23-7-5-22(4)6-8-23/h11-12H,5-10H2,1-4H3,(H,18,19,21,25)
InChIKeyGVEXLXJHWONLNS-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.06
Rot. Bonds4

About 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (PubChem CID 71225600) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
PubChem CID71225600
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCN1CCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc32)CC1
InChIInChI=1S/C17H27N7O/c1-17(2,3)16(25)21-14-13-11-20-24(15(13)19-12-18-14)10-9-23-7-5-22(4)6-8-23/h11-12H,5-10H2,1-4H3,(H,18,19,21,25)
InChIKeyGVEXLXJHWONLNS-UHFFFAOYSA-N
XLogP1.06
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide 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 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (CID 71225600) is 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is CN1CCN(CCn2ncc3c(NC(=O)C(C)(C)C)ncnc32)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The InChIKey is GVEXLXJHWONLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-17(2,3)16(25)21-14-13-11-20-24(15(13)19-12-18-14)10-9-23-7-5-22(4)6-8-23/h11-12H,5-10H2,1-4H3,(H,18,19,21,25).
What are the key properties of 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide has a molecular weight of 345.45 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 71225600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).