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

C27H21FN8O5 — CID 59461549

IUPAC3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C1N=C(c2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)cc2)NO1
InChIInChI=1S/C27H21FN8O5/c1-14-32-23(34-41-14)17-6-3-15(4-7-17)11-30-26(38)21-10-19(33-24-18(28)13-31-36(21)24)25(37)29-12-16-5-8-22-20(9-16)35(2)27(39)40-22/h3-10,13H,1,11-12H2,2H3,(H,29,37)(H,30,38)(H,32,34)
InChIKeyGXRRZXXSKJUDPX-UHFFFAOYSA-N
MW556.51 g/mol
LogP1.93
Rot. Bonds7

About 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59461549) 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-methyl-2-oxo-1,3-benzoxazol-5-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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59461549
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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC=C1N=C(c2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4c(F)cnn34)cc2)NO1
InChIInChI=1S/C27H21FN8O5/c1-14-32-23(34-41-14)17-6-3-15(4-7-17)11-30-26(38)21-10-19(33-24-18(28)13-31-36(21)24)25(37)29-12-16-5-8-22-20(9-16)35(2)27(39)40-22/h3-10,13H,1,11-12H2,2H3,(H,29,37)(H,30,38)(H,32,34)
InChIKeyGXRRZXXSKJUDPX-UHFFFAOYSA-N
XLogP1.93
TPSA157.15 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.51
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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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-methyl-2-oxo-1,3-benzoxazol-5-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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59461549) is 3-fluoro-7-N-[[4-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-methyl-2-oxo-1,3-benzoxazol-5-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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C=C1N=C(c2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is GXRRZXXSKJUDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8O5/c1-14-32-23(34-41-14)17-6-3-15(4-7-17)11-30-26(38)21-10-19(33-24-18(28)13-31-36(21)24)25(37)29-12-16-5-8-22-20(9-16)35(2)27(39)40-22/h3-10,13H,1,11-12H2,2H3,(H,29,37)(H,30,38)(H,32,34).
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-methyl-2-oxo-1,3-benzoxazol-5-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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 556.51 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 11 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-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).