7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C23H19F2N5O4S — CID 59462823

IUPAC7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)s1
InChIInChI=1S/C23H19F2N5O4S/c1-13(31)19-6-5-16(35-19)12-27-22(33)18-10-17(29-20-7-8-28-30(18)20)21(32)26-11-14-3-2-4-15(9-14)34-23(24)25/h2-10,23H,11-12H2,1H3,(H,26,32)(H,27,33)
InChIKeyIYAFREHXEKQDQJ-UHFFFAOYSA-N
MW499.50 g/mol
LogP3.45
Rot. Bonds9

About 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462823) has the molecular formula C23H19F2N5O4S and a molecular weight of 499.50 g/mol. Its IUPAC name is 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59462823
Molecular FormulaC23H19F2N5O4S
Molecular Weight499.50 g/mol
Exact Mass499.11
IUPAC Name7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)s1
InChIInChI=1S/C23H19F2N5O4S/c1-13(31)19-6-5-16(35-19)12-27-22(33)18-10-17(29-20-7-8-28-30(18)20)21(32)26-11-14-3-2-4-15(9-14)34-23(24)25/h2-10,23H,11-12H2,1H3,(H,26,32)(H,27,33)
InChIKeyIYAFREHXEKQDQJ-UHFFFAOYSA-N
XLogP3.45
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462823) is 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)nc3ccnn23)s1.
What is the InChIKey of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is IYAFREHXEKQDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O4S/c1-13(31)19-6-5-16(35-19)12-27-22(33)18-10-17(29-20-7-8-28-30(18)20)21(32)26-11-14-3-2-4-15(9-14)34-23(24)25/h2-10,23H,11-12H2,1H3,(H,26,32)(H,27,33).
What are the key properties of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 499.50 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).