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

C23H20N6O4S — CID 59461310

IUPAC5-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)nc3ccnn23)s1
InChIInChI=1S/C23H20N6O4S/c1-13-3-5-15(34-13)12-25-22(31)18-10-16(27-20-7-8-26-29(18)20)21(30)24-11-14-4-6-19-17(9-14)28(2)23(32)33-19/h3-10H,11-12H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyVDOJGHKYIKHPLB-UHFFFAOYSA-N
MW476.52 g/mol
LogP2.40
Rot. Bonds6

About 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

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 59461310) has the molecular formula C23H20N6O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is 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 Name5-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 CID59461310
Molecular FormulaC23H20N6O4S
Molecular Weight476.52 g/mol
Exact Mass476.13
IUPAC Name5-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)nc3ccnn23)s1
InChIInChI=1S/C23H20N6O4S/c1-13-3-5-15(34-13)12-25-22(31)18-10-16(27-20-7-8-26-29(18)20)21(30)24-11-14-4-6-19-17(9-14)28(2)23(32)33-19/h3-10H,11-12H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyVDOJGHKYIKHPLB-UHFFFAOYSA-N
XLogP2.40
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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 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 59461310) is 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 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 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)nc3ccnn23)s1.
What is the InChIKey of 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 VDOJGHKYIKHPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S/c1-13-3-5-15(34-13)12-25-22(31)18-10-16(27-20-7-8-26-29(18)20)21(30)24-11-14-4-6-19-17(9-14)28(2)23(32)33-19/h3-10H,11-12H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of 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?
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 476.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 59461310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).