N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide

C15H18F2N4O3 — CID 109920439

IUPACN-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CNC(=O)C(C3(CCC3)O)(F)F
InChIInChI=1S/C15H18F2N4O3/c1-8-10(9(2)21-11(19-8)6-12(22)20-21)7-18-13(23)15(16,17)14(24)4-3-5-14/h6,24H,3-5,7H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyVMZRDWOVGMXVEC-UHFFFAOYSA-N
MW340.32 g/mol
LogP0.50
Rot. Bonds4

About N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide

N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide (PubChem CID 109920439) has the molecular formula C15H18F2N4O3 and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
PubChem CID109920439
Molecular FormulaC15H18F2N4O3
Molecular Weight340.32 g/mol
Exact Mass340.13
IUPAC NameN-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CNC(=O)C(C3(CCC3)O)(F)F
InChIInChI=1S/C15H18F2N4O3/c1-8-10(9(2)21-11(19-8)6-12(22)20-21)7-18-13(23)15(16,17)14(24)4-3-5-14/h6,24H,3-5,7H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyVMZRDWOVGMXVEC-UHFFFAOYSA-N
XLogP0.50
TPSA94.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity708

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
The IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide (CID 109920439) is N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide.
What is the SMILES notation for N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
The canonical SMILES for N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide is CC1=C(C(=NC2=CC(=O)NN12)C)CNC(=O)C(C3(CCC3)O)(F)F.
What is the InChIKey of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
The InChIKey is VMZRDWOVGMXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O3/c1-8-10(9(2)21-11(19-8)6-12(22)20-21)7-18-13(23)15(16,17)14(24)4-3-5-14/h6,24H,3-5,7H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide?
N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide has a molecular weight of 340.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 109920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).