5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C24H18F3N7O4 — CID 24872366

IUPAC5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)n4nccc4n3)cc21
InChIInChI=1S/C24H18F3N7O4/c1-33-16-8-13(2-4-18(16)38-23(33)37)10-29-21(35)15-9-17(34-20(32-15)6-7-31-34)22(36)30-12-14-3-5-19(28-11-14)24(25,26)27/h2-9,11H,10,12H2,1H3,(H,29,35)(H,30,36)
InChIKeyUSHHJHRNDBPJKL-UHFFFAOYSA-N
MW525.45 g/mol
LogP2.45
Rot. Bonds6

About 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 24872366) has the molecular formula C24H18F3N7O4 and a molecular weight of 525.45 g/mol. Its IUPAC name is 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID24872366
Molecular FormulaC24H18F3N7O4
Molecular Weight525.45 g/mol
Exact Mass525.14
IUPAC Name5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)n4nccc4n3)cc21
InChIInChI=1S/C24H18F3N7O4/c1-33-16-8-13(2-4-18(16)38-23(33)37)10-29-21(35)15-9-17(34-20(32-15)6-7-31-34)22(36)30-12-14-3-5-19(28-11-14)24(25,26)27/h2-9,11H,10,12H2,1H3,(H,29,35)(H,30,36)
InChIKeyUSHHJHRNDBPJKL-UHFFFAOYSA-N
XLogP2.45
TPSA136.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.45
LogP ≤ 52.45
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-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 24872366) is 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)n4nccc4n3)cc21.
What is the InChIKey of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is USHHJHRNDBPJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O4/c1-33-16-8-13(2-4-18(16)38-23(33)37)10-29-21(35)15-9-17(34-20(32-15)6-7-31-34)22(36)30-12-14-3-5-19(28-11-14)24(25,26)27/h2-9,11H,10,12H2,1H3,(H,29,35)(H,30,36).
What are the key properties of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 525.45 g/mol, XLogP of 2.45, 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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 24872366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).