7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C209H226N48O33 — CID 160616305

IUPAC7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4ccnn34)(CC1)CC2.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CC6CC(CC(C6)C4)C5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4C5CC6CC(C5)CC4C6)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCCC4)n4nccc4n3)cc21
InChIInChI=1S/C28H30N6O5.2C28H30N6O4.C27H30N6O4.C26H28N6O4.C25H28N6O4.C24H26N6O4.C23H24N6O4/c1-17(35)28-9-6-27(7-10-28,8-11-28)16-30-25(37)21-14-19(32-23-5-12-31-34(21)23)24(36)29-15-18-3-4-22-20(13-18)33(2)26(38)39-22;1-33-21-9-16(2-3-23(21)38-27(33)37)14-29-25(35)20-10-22(34-24(32-20)4-5-31-34)26(36)30-15-28-11-17-6-18(12-28)8-19(7-17)13-28;1-33-22-11-15(2-3-24(22)38-28(33)37)13-29-26(35)21-12-23(34-25(32-21)4-5-31-34)27(36)30-14-20-18-7-16-6-17(9-18)10-19(20)8-16;1-26-6-9-27(10-7-26,11-8-26)16-29-24(35)20-14-18(31-22-5-12-30-33(20)22)23(34)28-15-17-3-4-21-19(13-17)32(2)25(36)37-21;1-31-19-12-17(2-3-21(19)36-25(31)35)14-27-23(33)18-13-20(32-22(30-18)7-11-29-32)24(34)28-15-26-8-4-16(5-9-26)6-10-26;1-30-19-12-17(8-9-21(19)35-25(30)34)15-26-23(32)18-13-20(31-22(29-18)10-11-28-31)24(33)27-14-16-6-4-2-3-5-7-16;1-29-18-11-16(7-8-20(18)34-24(29)33)14-25-22(31)17-12-19(30-21(28-17)9-10-27-30)23(32)26-13-15-5-3-2-4-6-15;1-28-17-10-15(6-7-19(17)33-23(28)32)13-24-21(30)16-11-18(29-20(27-16)8-9-26-29)22(31)25-12-14-4-2-3-5-14/h3-5,12-14H,6-11,15-16H2,1-2H3,(H,29,36)(H,30,37);2-5,9-10,17-19H,6-8,11-15H2,1H3,(H,29,35)(H,30,36);2-5,11-12,16-20H,6-10,13-14H2,1H3,(H,29,35)(H,30,36);3-5,12-14H,6-11,15-16H2,1-2H3,(H,28,34)(H,29,35);2-3,7,11-13,16H,4-6,8-10,14-15H2,1H3,(H,27,33)(H,28,34);8-13,16H,2-7,14-15H2,1H3,(H,26,32)(H,27,33);7-12,15H,2-6,13-14H2,1H3,(H,25,31)(H,26,32);6-11,14H,2-5,12-13H2,1H3,(H,24,30)(H,25,31)
InChIKeyRGDFSKZGIHIHQV-UHFFFAOYSA-N
MW3938.41 g/mol
LogP21.96
Rot. Bonds49

About 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 160616305) has the molecular formula C209H226N48O33 and a molecular weight of 3938.41 g/mol. Its IUPAC name is 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID160616305
Molecular FormulaC209H226N48O33
Molecular Weight3938.41 g/mol
Exact Mass3935.75
IUPAC Name7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4ccnn34)(CC1)CC2.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CC6CC(CC(C6)C4)C5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4C5CC6CC(C5)CC4C6)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCCC4)n4nccc4n3)cc21
InChIInChI=1S/C28H30N6O5.2C28H30N6O4.C27H30N6O4.C26H28N6O4.C25H28N6O4.C24H26N6O4.C23H24N6O4/c1-17(35)28-9-6-27(7-10-28,8-11-28)16-30-25(37)21-14-19(32-23-5-12-31-34(21)23)24(36)29-15-18-3-4-22-20(13-18)33(2)26(38)39-22;1-33-21-9-16(2-3-23(21)38-27(33)37)14-29-25(35)20-10-22(34-24(32-20)4-5-31-34)26(36)30-15-28-11-17-6-18(12-28)8-19(7-17)13-28;1-33-22-11-15(2-3-24(22)38-28(33)37)13-29-26(35)21-12-23(34-25(32-21)4-5-31-34)27(36)30-14-20-18-7-16-6-17(9-18)10-19(20)8-16;1-26-6-9-27(10-7-26,11-8-26)16-29-24(35)20-14-18(31-22-5-12-30-33(20)22)23(34)28-15-17-3-4-21-19(13-17)32(2)25(36)37-21;1-31-19-12-17(2-3-21(19)36-25(31)35)14-27-23(33)18-13-20(32-22(30-18)7-11-29-32)24(34)28-15-26-8-4-16(5-9-26)6-10-26;1-30-19-12-17(8-9-21(19)35-25(30)34)15-26-23(32)18-13-20(31-22(29-18)10-11-28-31)24(33)27-14-16-6-4-2-3-5-7-16;1-29-18-11-16(7-8-20(18)34-24(29)33)14-25-22(31)17-12-19(30-21(28-17)9-10-27-30)23(32)26-13-15-5-3-2-4-6-15;1-28-17-10-15(6-7-19(17)33-23(28)32)13-24-21(30)16-11-18(29-20(27-16)8-9-26-29)22(31)25-12-14-4-2-3-5-14/h3-5,12-14H,6-11,15-16H2,1-2H3,(H,29,36)(H,30,37);2-5,9-10,17-19H,6-8,11-15H2,1H3,(H,29,35)(H,30,36);2-5,11-12,16-20H,6-10,13-14H2,1H3,(H,29,35)(H,30,36);3-5,12-14H,6-11,15-16H2,1-2H3,(H,28,34)(H,29,35);2-3,7,11-13,16H,4-6,8-10,14-15H2,1H3,(H,27,33)(H,28,34);8-13,16H,2-7,14-15H2,1H3,(H,26,32)(H,27,33);7-12,15H,2-6,13-14H2,1H3,(H,25,31)(H,26,32);6-11,14H,2-5,12-13H2,1H3,(H,24,30)(H,25,31)
InChIKeyRGDFSKZGIHIHQV-UHFFFAOYSA-N
XLogP21.96
TPSA1005.31 Ų
H-Bond Donors16
H-Bond Acceptors65
Rotatable Bonds49
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003938.41
LogP ≤ 521.96
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1065

Analyze 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)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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Launch Full Analysis

Related Compounds

7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462597
5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(4-propanoyl-1-bicyclo[2.2.2]octanyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160823313
7-N-[(4-fluoro-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588074
7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460978
7-N-[(4-aminocuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70310769
7-N-[(4-carbamoylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70309769
7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462684
5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 90908407
7-N-[(2-fluorophenyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461521
7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461319
7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462658
7-N-[[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]cuban-1-yl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462265

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)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 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 160616305) is 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)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 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)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 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4ccnn34)(CC1)CC2.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CC6CC(CC(C6)C4)C5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4C5CC6CC(C5)CC4C6)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCCC4)n4nccc4n3)cc21.
What is the InChIKey of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is RGDFSKZGIHIHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O5.2C28H30N6O4.C27H30N6O4.C26H28N6O4.C25H28N6O4.C24H26N6O4.C23H24N6O4/c1-17(35)28-9-6-27(7-10-28,8-11-28)16-30-25(37)21-14-19(32-23-5-12-31-34(21)23)24(36)29-15-18-3-4-22-20(13-18)33(2)26(38)39-22;1-33-21-9-16(2-3-23(21)38-27(33)37)14-29-25(35)20-10-22(34-24(32-20)4-5-31-34)26(36)30-15-28-11-17-6-18(12-28)8-19(7-17)13-28;1-33-22-11-15(2-3-24(22)38-28(33)37)13-29-26(35)21-12-23(34-25(32-21)4-5-31-34)27(36)30-14-20-18-7-16-6-17(9-18)10-19(20)8-16;1-26-6-9-27(10-7-26,11-8-26)16-29-24(35)20-14-18(31-22-5-12-30-33(20)22)23(34)28-15-17-3-4-21-19(13-17)32(2)25(36)37-21;1-31-19-12-17(2-3-21(19)36-25(31)35)14-27-23(33)18-13-20(32-22(30-18)7-11-29-32)24(34)28-15-26-8-4-16(5-9-26)6-10-26;1-30-19-12-17(8-9-21(19)35-25(30)34)15-26-23(32)18-13-20(31-22(29-18)10-11-28-31)24(33)27-14-16-6-4-2-3-5-7-16;1-29-18-11-16(7-8-20(18)34-24(29)33)14-25-22(31)17-12-19(30-21(28-17)9-10-27-30)23(32)26-13-15-5-3-2-4-6-15;1-28-17-10-15(6-7-19(17)33-23(28)32)13-24-21(30)16-11-18(29-20(27-16)8-9-26-29)22(31)25-12-14-4-2-3-5-14/h3-5,12-14H,6-11,15-16H2,1-2H3,(H,29,36)(H,30,37);2-5,9-10,17-19H,6-8,11-15H2,1H3,(H,29,35)(H,30,36);2-5,11-12,16-20H,6-10,13-14H2,1H3,(H,29,35)(H,30,36);3-5,12-14H,6-11,15-16H2,1-2H3,(H,28,34)(H,29,35);2-3,7,11-13,16H,4-6,8-10,14-15H2,1H3,(H,27,33)(H,28,34);8-13,16H,2-7,14-15H2,1H3,(H,26,32)(H,27,33);7-12,15H,2-6,13-14H2,1H3,(H,25,31)(H,26,32);6-11,14H,2-5,12-13H2,1H3,(H,24,30)(H,25,31).
What are the key properties of 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)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 3938.41 g/mol, XLogP of 21.96, 49 rotatable bonds, 16 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(2-adamantylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cycloheptylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)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 160616305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).