3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C23H19FN6O4S — CID 59462570

IUPAC3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)s1
InChIInChI=1S/C23H19FN6O4S/c1-12-3-5-14(35-12)10-26-22(32)18-8-16(28-20-15(24)11-27-30(18)20)21(31)25-9-13-4-6-19-17(7-13)29(2)23(33)34-19/h3-8,11H,9-10H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyIENAHMMXXXOMNP-UHFFFAOYSA-N
MW494.51 g/mol
LogP2.54
Rot. Bonds6

About 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462570) has the molecular formula C23H19FN6O4S and a molecular weight of 494.51 g/mol. Its IUPAC name is 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59462570
Molecular FormulaC23H19FN6O4S
Molecular Weight494.51 g/mol
Exact Mass494.12
IUPAC Name3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)s1
InChIInChI=1S/C23H19FN6O4S/c1-12-3-5-14(35-12)10-26-22(32)18-8-16(28-20-15(24)11-27-30(18)20)21(31)25-9-13-4-6-19-17(7-13)29(2)23(33)34-19/h3-8,11H,9-10H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyIENAHMMXXXOMNP-UHFFFAOYSA-N
XLogP2.54
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide 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 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462570) is 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)s1.
What is the InChIKey of 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is IENAHMMXXXOMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O4S/c1-12-3-5-14(35-12)10-26-22(32)18-8-16(28-20-15(24)11-27-30(18)20)21(31)25-9-13-4-6-19-17(7-13)29(2)23(33)34-19/h3-8,11H,9-10H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 494.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(5-methylthiophen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).