N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C23H26N6O2 — CID 92555758

IUPACN-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1cc2nc(C[C@@H](NC(=O)Cn3nc(C)c(C)c3C)c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C23H26N6O2/c1-14-10-21-24-19(12-23(31)29(21)26-14)11-20(18-8-6-5-7-9-18)25-22(30)13-28-17(4)15(2)16(3)27-28/h5-10,12,20,26H,11,13H2,1-4H3,(H,25,30)/t20-/m1/s1
InChIKeyMBZVDTRGVOAVSO-HXUWFJFHSA-N
MW418.50 g/mol
LogP2.55
Rot. Bonds6

About N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 92555758) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID92555758
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1cc2nc(C[C@@H](NC(=O)Cn3nc(C)c(C)c3C)c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C23H26N6O2/c1-14-10-21-24-19(12-23(31)29(21)26-14)11-20(18-8-6-5-7-9-18)25-22(30)13-28-17(4)15(2)16(3)27-28/h5-10,12,20,26H,11,13H2,1-4H3,(H,25,30)/t20-/m1/s1
InChIKeyMBZVDTRGVOAVSO-HXUWFJFHSA-N
XLogP2.55
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide 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-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 92555758) is N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1cc2nc(C[C@@H](NC(=O)Cn3nc(C)c(C)c3C)c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is MBZVDTRGVOAVSO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14-10-21-24-19(12-23(31)29(21)26-14)11-20(18-8-6-5-7-9-18)25-22(30)13-28-17(4)15(2)16(3)27-28/h5-10,12,20,26H,11,13H2,1-4H3,(H,25,30)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 92555758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).