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

C48H35F4N13O10 — CID 90919779

IUPAC7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)OC(F)(F)O5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccn4)n4ncc(F)c4n3)cc21
InChIInChI=1S/C25H17F3N6O6.C23H18FN7O4/c1-33-16-6-12(2-4-18(16)38-24(33)37)9-29-22(35)15-8-17(34-21(32-15)14(26)11-31-34)23(36)30-10-13-3-5-19-20(7-13)40-25(27,28)39-19;1-30-17-8-13(5-6-19(17)35-23(30)34)10-26-21(32)16-9-18(31-20(29-16)15(24)12-28-31)22(33)27-11-14-4-2-3-7-25-14/h2-8,11H,9-10H2,1H3,(H,29,35)(H,30,36);2-9,12H,10-11H2,1H3,(H,26,32)(H,27,33)
InChIKeyMLRGTWOGVMMPTF-UHFFFAOYSA-N
MW1029.88 g/mol
LogP4.06
Rot. Bonds12

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

7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 90919779) has the molecular formula C48H35F4N13O10 and a molecular weight of 1029.88 g/mol. Its IUPAC name is 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID90919779
Molecular FormulaC48H35F4N13O10
Molecular Weight1029.88 g/mol
Exact Mass1029.26
IUPAC Name7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)OC(F)(F)O5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccn4)n4ncc(F)c4n3)cc21
InChIInChI=1S/C25H17F3N6O6.C23H18FN7O4/c1-33-16-6-12(2-4-18(16)38-24(33)37)9-29-22(35)15-8-17(34-21(32-15)14(26)11-31-34)23(36)30-10-13-3-5-19-20(7-13)40-25(27,28)39-19;1-30-17-8-13(5-6-19(17)35-23(30)34)10-26-21(32)16-9-18(31-20(29-16)15(24)12-28-31)22(33)27-11-14-4-2-3-7-25-14/h2-8,11H,9-10H2,1H3,(H,29,35)(H,30,36);2-9,12H,10-11H2,1H3,(H,26,32)(H,27,33)
InChIKeyMLRGTWOGVMMPTF-UHFFFAOYSA-N
XLogP4.06
TPSA278.41 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.88
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 90919779) is 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)OC(F)(F)O5)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccn4)n4ncc(F)c4n3)cc21.
What is the InChIKey of 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is MLRGTWOGVMMPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N6O6.C23H18FN7O4/c1-33-16-6-12(2-4-18(16)38-24(33)37)9-29-22(35)15-8-17(34-21(32-15)14(26)11-31-34)23(36)30-10-13-3-5-19-20(7-13)40-25(27,28)39-19;1-30-17-8-13(5-6-19(17)35-23(30)34)10-26-21(32)16-9-18(31-20(29-16)15(24)12-28-31)22(33)27-11-14-4-2-3-7-25-14/h2-8,11H,9-10H2,1H3,(H,29,35)(H,30,36);2-9,12H,10-11H2,1H3,(H,26,32)(H,27,33).
What are the key properties of 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 1029.88 g/mol, XLogP of 4.06, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 90919779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).