7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate

C115H98F12N20O17 — CID 160852316

About 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate

7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate (PubChem CID 160852316) has the molecular formula C115H98F12N20O17 and a molecular weight of 2260.15 g/mol. Its IUPAC name is 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate.

Molecular Properties

• Compound Name: 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate
• PubChem CID: 160852316
• Molecular Formula: C115H98F12N20O17
• Molecular Weight: 2260.15 g/mol
• Exact Mass: 2258.72
• IUPAC Name: 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate
• SMILES: C.C.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12.CCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12
• InChI: InChI=1S/C29H24FN5O6.C29H24FN5O5.C28H22F5N5O3.C27H20F5N5O3.2CH4/c1-40-27(39)29-21-18-22(29)20-23(29)19(21)28(18,20)10-32-26(38)16-6-15(34-24-14(30)8-33-35(16)24)25(37)31-7-11-2-3-17-12(4-11)5-13(36)9-41-17;1-11(36)29-22-19-23(29)21-24(29)20(22)28(19,21)10-32-27(39)17-6-16(34-25-15(30)8-33-35(17)25)26(38)31-7-12-2-3-18-13(4-12)5-14(37)9-40-18;1-2-16(39)27-20-17-21(27)19-22(27)18(20)26(17,19)9-35-25(41)15-6-14(37-23-13(30)8-36-38(15)23)24(40)34-7-10-3-4-12(29)11(5-10)28(31,32)33;1-9(38)26-19-16-20(26)18-21(26)17(19)25(16,18)8-34-24(40)15-5-14(36-22-13(29)7-35-37(15)22)23(39)33-6-10-2-3-12(28)11(4-10)27(30,31)32;;/h2-4,6,8,18-23H,5,7,9-10H2,1H3,(H,31,37)(H,32,38);2-4,6,8,19-24H,5,7,9-10H2,1H3,(H,31,38)(H,32,39);3-6,8,17-22H,2,7,9H2,1H3,(H,34,40)(H,35,41);2-5,7,16-21H,6,8H2,1H3,(H,33,39)(H,34,40);2*1H4
• InChIKey: SJKNHTJTHGMUMI-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 483.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.15
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

The IUPAC name of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate (CID 160852316) is 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate.

What is the SMILES notation for 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

The canonical SMILES for 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate is C.C.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12.CCC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.COC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12.

What is the InChIKey of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

The InChIKey is SJKNHTJTHGMUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O6.C29H24FN5O5.C28H22F5N5O3.C27H20F5N5O3.2CH4/c1-40-27(39)29-21-18-22(29)20-23(29)19(21)28(18,20)10-32-26(38)16-6-15(34-24-14(30)8-33-35(16)24)25(37)31-7-11-2-3-17-12(4-11)5-13(36)9-41-17;1-11(36)29-22-19-23(29)21-24(29)20(22)28(19,21)10-32-27(39)17-6-16(34-25-15(30)8-33-35(17)25)26(38)31-7-12-2-3-18-13(4-12)5-14(37)9-40-18;1-2-16(39)27-20-17-21(27)19-22(27)18(20)26(17,19)9-35-25(41)15-6-14(37-23-13(30)8-36-38(15)23)24(40)34-7-10-3-4-12(29)11(5-10)28(31,32)33;1-9(38)26-19-16-20(26)18-21(26)17(19)25(16,18)8-34-24(40)15-5-14(36-22-13(29)7-35-37(15)22)23(39)33-6-10-2-3-12(28)11(4-10)27(30,31)32;;/h2-4,6,8,18-23H,5,7,9-10H2,1H3,(H,31,37)(H,32,38);2-4,6,8,19-24H,5,7,9-10H2,1H3,(H,31,38)(H,32,39);3-6,8,17-22H,2,7,9H2,1H3,(H,34,40)(H,35,41);2-5,7,16-21H,6,8H2,1H3,(H,33,39)(H,34,40);2*1H4.

What are the key properties of 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate?

7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate has a molecular weight of 2260.15 g/mol, XLogP of 9.99, 29 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcuban-1-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(4-propanoylcuban-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;methyl 4-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cubane-1-carboxylate is sourced from PubChem (CID 160852316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).