N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H26N6O2 — CID 16734081

IUPACN-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2cccc(CNC(=O)c3c[nH]n4c(=O)cc(-c5ccccc5)nc34)c2)CC1
InChIInChI=1S/C25H26N6O2/c1-29-10-12-30(13-11-29)20-9-5-6-18(14-20)16-26-25(33)21-17-27-31-23(32)15-22(28-24(21)31)19-7-3-2-4-8-19/h2-9,14-15,17,27H,10-13,16H2,1H3,(H,26,33)
InChIKeySRZQJIOTFGLOCN-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.37
Rot. Bonds5

About N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16734081) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16734081
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2cccc(CNC(=O)c3c[nH]n4c(=O)cc(-c5ccccc5)nc34)c2)CC1
InChIInChI=1S/C25H26N6O2/c1-29-10-12-30(13-11-29)20-9-5-6-18(14-20)16-26-25(33)21-17-27-31-23(32)15-22(28-24(21)31)19-7-3-2-4-8-19/h2-9,14-15,17,27H,10-13,16H2,1H3,(H,26,33)
InChIKeySRZQJIOTFGLOCN-UHFFFAOYSA-N
XLogP2.37
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide 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 N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16734081) is N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2cccc(CNC(=O)c3c[nH]n4c(=O)cc(-c5ccccc5)nc34)c2)CC1.
What is the InChIKey of N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SRZQJIOTFGLOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-29-10-12-30(13-11-29)20-9-5-6-18(14-20)16-26-25(33)21-17-27-31-23(32)15-22(28-24(21)31)19-7-3-2-4-8-19/h2-9,14-15,17,27H,10-13,16H2,1H3,(H,26,33).
What are the key properties of N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16734081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).