7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C23H20FN5O3S — CID 59462138

IUPAC7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ccnn23)s1
InChIInChI=1S/C23H20FN5O3S/c1-13-9-15(3-5-17(13)24)11-25-22(31)18-10-19(29-21(28-18)7-8-27-29)23(32)26-12-16-4-6-20(33-16)14(2)30/h3-10H,11-12H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyQLEIBYAAZQUDRZ-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.30
Rot. Bonds7

About 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462138) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59462138
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Name7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ccnn23)s1
InChIInChI=1S/C23H20FN5O3S/c1-13-9-15(3-5-17(13)24)11-25-22(31)18-10-19(29-21(28-18)7-8-27-29)23(32)26-12-16-4-6-20(33-16)14(2)30/h3-10H,11-12H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyQLEIBYAAZQUDRZ-UHFFFAOYSA-N
XLogP3.30
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462138) is 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ccnn23)s1.
What is the InChIKey of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is QLEIBYAAZQUDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-13-9-15(3-5-17(13)24)11-25-22(31)18-10-19(29-21(28-18)7-8-27-29)23(32)26-12-16-4-6-20(33-16)14(2)30/h3-10H,11-12H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 465.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).