7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C203H172F8N52O37S — CID 161360476

IUPAC7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCCCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC23C4C5C6C4C2C6C53)n2ncc(F)c2n1
InChIInChI=1S/C27H22FN7O5.4C26H21FN6O4.C25H19FN6O4.C24H24FN7O5.C23H23FN8O7S/c1-29-24(38)27-18-15-19(27)17-20(27)16(18)26(15,17)8-31-23(37)13-5-12(33-21-10(28)7-32-35(13)21)22(36)30-6-9-2-3-14-11(4-9)34-25(39)40-14;4*1-25-15-18-16(25)20-17(25)19(15)26(18,20)8-29-23(35)13-5-12(31-21-10(27)7-30-33(13)21)22(34)28-6-9-2-3-14-11(4-9)32-24(36)37-14;26-9-6-29-32-12(23(34)28-7-25-18-15-14-16(18)20(25)17(14)19(15)25)4-11(30-21(9)32)22(33)27-5-8-1-2-13-10(3-8)31-24(35)36-13;1-13(23(35)31-7-3-2-4-8-31)28-22(34)18-10-17(29-20-15(25)12-27-32(18)20)21(33)26-11-14-5-6-19-16(9-14)30-24(36)37-19;1-11(20(33)28-13-9-31(10-13)40(2,37)38)27-22(35)17-6-16(29-19-14(24)8-26-32(17)19)21(34)25-7-12-3-4-18-15(5-12)30-23(36)39-18/h2-5,7,15-20H,6,8H2,1H3,(H,29,38)(H,30,36)(H,31,37)(H,34,39);4*2-5,7,15-20H,6,8H2,1H3,(H,28,34)(H,29,35)(H,32,36);1-4,6,14-20H,5,7H2,(H,27,33)(H,28,34)(H,31,35);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,26,33)(H,28,34)(H,30,36);3-6,8,11,13H,7,9-10H2,1-2H3,(H,25,34)(H,27,35)(H,28,33)(H,30,36)/t;;;;;;13-;11-/m......00/s1
InChIKeyVPCJKEWBGQAKOK-MZSXQMCMSA-N
MW4115.99 g/mol
LogP9.13
Rot. Bonds51

About 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 161360476) has the molecular formula C203H172F8N52O37S and a molecular weight of 4115.99 g/mol. Its IUPAC name is 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID161360476
Molecular FormulaC203H172F8N52O37S
Molecular Weight4115.99 g/mol
Exact Mass4113.28
IUPAC Name7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCCCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC23C4C5C6C4C2C6C53)n2ncc(F)c2n1
InChIInChI=1S/C27H22FN7O5.4C26H21FN6O4.C25H19FN6O4.C24H24FN7O5.C23H23FN8O7S/c1-29-24(38)27-18-15-19(27)17-20(27)16(18)26(15,17)8-31-23(37)13-5-12(33-21-10(28)7-32-35(13)21)22(36)30-6-9-2-3-14-11(4-9)34-25(39)40-14;4*1-25-15-18-16(25)20-17(25)19(15)26(18,20)8-29-23(35)13-5-12(31-21-10(27)7-30-33(13)21)22(34)28-6-9-2-3-14-11(4-9)32-24(36)37-14;26-9-6-29-32-12(23(34)28-7-25-18-15-14-16(18)20(25)17(14)19(15)25)4-11(30-21(9)32)22(33)27-5-8-1-2-13-10(3-8)31-24(35)36-13;1-13(23(35)31-7-3-2-4-8-31)28-22(34)18-10-17(29-20-15(25)12-27-32(18)20)21(33)26-11-14-5-6-19-16(9-14)30-24(36)37-19;1-11(20(33)28-13-9-31(10-13)40(2,37)38)27-22(35)17-6-16(29-19-14(24)8-26-32(17)19)21(34)25-7-12-3-4-18-15(5-12)30-23(36)39-18/h2-5,7,15-20H,6,8H2,1H3,(H,29,38)(H,30,36)(H,31,37)(H,34,39);4*2-5,7,15-20H,6,8H2,1H3,(H,28,34)(H,29,35)(H,32,36);1-4,6,14-20H,5,7H2,(H,27,33)(H,28,34)(H,31,35);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,26,33)(H,28,34)(H,30,36);3-6,8,11,13H,7,9-10H2,1-2H3,(H,25,34)(H,27,35)(H,28,33)(H,30,36)/t;;;;;;13-;11-/m......00/s1
InChIKeyVPCJKEWBGQAKOK-MZSXQMCMSA-N
XLogP9.13
TPSA1191.01 Ų
H-Bond Donors26
H-Bond Acceptors61
Rotatable Bonds51
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004115.99
LogP ≤ 59.13
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1061

Analyze 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]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-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 161360476) is 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.CNC(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)N1CCCCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12)C(=O)NC1CN(S(C)(=O)=O)C1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC23C4C5C6C4C2C6C53)n2ncc(F)c2n1.
What is the InChIKey of 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is VPCJKEWBGQAKOK-MZSXQMCMSA-N. The full InChI is InChI=1S/C27H22FN7O5.4C26H21FN6O4.C25H19FN6O4.C24H24FN7O5.C23H23FN8O7S/c1-29-24(38)27-18-15-19(27)17-20(27)16(18)26(15,17)8-31-23(37)13-5-12(33-21-10(28)7-32-35(13)21)22(36)30-6-9-2-3-14-11(4-9)34-25(39)40-14;4*1-25-15-18-16(25)20-17(25)19(15)26(18,20)8-29-23(35)13-5-12(31-21-10(27)7-30-33(13)21)22(34)28-6-9-2-3-14-11(4-9)32-24(36)37-14;26-9-6-29-32-12(23(34)28-7-25-18-15-14-16(18)20(25)17(14)19(15)25)4-11(30-21(9)32)22(33)27-5-8-1-2-13-10(3-8)31-24(35)36-13;1-13(23(35)31-7-3-2-4-8-31)28-22(34)18-10-17(29-20-15(25)12-27-32(18)20)21(33)26-11-14-5-6-19-16(9-14)30-24(36)37-19;1-11(20(33)28-13-9-31(10-13)40(2,37)38)27-22(35)17-6-16(29-19-14(24)8-26-32(17)19)21(34)25-7-12-3-4-18-15(5-12)30-23(36)39-18/h2-5,7,15-20H,6,8H2,1H3,(H,29,38)(H,30,36)(H,31,37)(H,34,39);4*2-5,7,15-20H,6,8H2,1H3,(H,28,34)(H,29,35)(H,32,36);1-4,6,14-20H,5,7H2,(H,27,33)(H,28,34)(H,31,35);5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,26,33)(H,28,34)(H,30,36);3-6,8,11,13H,7,9-10H2,1-2H3,(H,25,34)(H,27,35)(H,28,33)(H,30,36)/t;;;;;;13-;11-/m......00/s1.
What are the key properties of 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 4115.99 g/mol, XLogP of 9.13, 51 rotatable bonds, 26 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(cuban-1-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(methylcarbamoyl)cuban-1-yl]methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tetrakis(3-fluoro-7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 161360476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).