3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C27H21FN8O5 — CID 59463069

IUPAC3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C1N=C(c2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)nc4c(F)cnn34)cc2)NO1
InChIInChI=1S/C27H21FN8O5/c1-14-32-24(35-41-14)17-5-2-15(3-6-17)10-30-27(39)21-9-20(34-25-18(28)12-31-36(21)25)26(38)29-11-16-4-7-22-19(8-16)33-23(37)13-40-22/h2-9,12H,1,10-11,13H2,(H,29,38)(H,30,39)(H,32,35)(H,33,37)
InChIKeyGAGKZCPXVSTQEM-UHFFFAOYSA-N
MW556.51 g/mol
LogP1.81
Rot. Bonds7

About 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59463069) has the molecular formula C27H21FN8O5 and a molecular weight of 556.51 g/mol. Its IUPAC name is 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59463069
Molecular FormulaC27H21FN8O5
Molecular Weight556.51 g/mol
Exact Mass556.16
IUPAC Name3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C1N=C(c2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)nc4c(F)cnn34)cc2)NO1
InChIInChI=1S/C27H21FN8O5/c1-14-32-24(35-41-14)17-5-2-15(3-6-17)10-30-27(39)21-9-20(34-25-18(28)12-31-36(21)25)26(38)29-11-16-4-7-22-19(8-16)33-23(37)13-40-22/h2-9,12H,1,10-11,13H2,(H,29,38)(H,30,39)(H,32,35)(H,33,37)
InChIKeyGAGKZCPXVSTQEM-UHFFFAOYSA-N
XLogP1.81
TPSA160.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.51
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-N-[(4-carbamoylphenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462398
3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462799
3-fluoro-7-N-[(4-methylsulfonylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460658
7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462964
7-N-(azetidin-3-yl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460981
3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(pyrazin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460727
3-[[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]benzoic acid
CID 59462172
ethane;3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-propanoylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 143680119
3-fluoro-7-N-(2-methyl-3-oxobutan-2-yl)-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461807
tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetate
CID 59460650
(2R)-2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]propanoic acid
CID 59462568
3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 59764253

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59463069) is 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C=C1N=C(c2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)nc4c(F)cnn34)cc2)NO1.
What is the InChIKey of 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is GAGKZCPXVSTQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8O5/c1-14-32-24(35-41-14)17-5-2-15(3-6-17)10-30-27(39)21-9-20(34-25-18(28)12-31-36(21)25)26(38)29-11-16-4-7-22-19(8-16)33-23(37)13-40-22/h2-9,12H,1,10-11,13H2,(H,29,38)(H,30,39)(H,32,35)(H,33,37).
What are the key properties of 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 556.51 g/mol, XLogP of 1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59463069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).