bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C210H243N53O39 — CID 157286652

IUPACbis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC.C.C.C.C.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.CC(C)N1CC[C@H](NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)C1=O.CNC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4ccnn34)(CC1)CC2.CNC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC(=O)NC(C)(C)C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4nccc4n3)cc21
InChIInChI=1S/C28H31N7O5.C27H30N6O4.C26H29N7O5.2C26H28N6O5.C25H27N7O5.C24H25N7O5.C23H25N7O5.5CH4/c1-29-25(38)28-9-6-27(7-10-28,8-11-28)16-31-24(37)20-14-18(33-22-5-12-32-35(20)22)23(36)30-15-17-3-4-21-19(13-17)34(2)26(39)40-21;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;1-27-23(34)17-6-3-15(4-7-17)13-29-25(36)20-12-18(31-22-9-10-30-33(20)22)24(35)28-14-16-5-8-21-19(11-16)32(2)26(37)38-21;2*1-15(33)18-6-3-16(4-7-18)13-28-25(35)21-12-19(30-23-9-10-29-32(21)23)24(34)27-14-17-5-8-22-20(11-17)31(2)26(36)37-22;1-25(2,3)31-10-8-15(23(31)35)29-22(34)18-12-16(28-20-7-9-27-32(18)20)21(33)26-13-14-5-6-19-17(11-14)30(4)24(36)37-19;1-13(2)30-9-7-15(23(30)34)28-22(33)18-11-16(27-20-6-8-26-31(18)20)21(32)25-12-14-4-5-19-17(10-14)29(3)24(35)36-19;1-23(2,3)28-19(31)12-25-21(33)16-10-14(27-18-7-8-26-30(16)18)20(32)24-11-13-5-6-17-15(9-13)29(4)22(34)35-17;;;;;/h3-5,12-14H,6-11,15-16H2,1-2H3,(H,29,38)(H,30,36)(H,31,37);3-5,12-14H,6-11,15-16H2,1-2H3,(H,28,34)(H,29,35);5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3,(H,27,34)(H,28,35)(H,29,36);2*5,8-12,16,18H,3-4,6-7,13-14H2,1-2H3,(H,27,34)(H,28,35);5-7,9,11-12,15H,8,10,13H2,1-4H3,(H,26,33)(H,29,34);4-6,8,10-11,13,15H,7,9,12H2,1-3H3,(H,25,32)(H,28,33);5-10H,11-12H2,1-4H3,(H,24,32)(H,25,33)(H,28,31);5*1H4/t;;;;;2*15-;;;;;;/m.....00....../s1
InChIKeyBAHSSWXPJLYSHM-QHRKKMNESA-N
MW4133.59 g/mol
LogP16.97
Rot. Bonds51

About bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157286652) has the molecular formula C210H243N53O39 and a molecular weight of 4133.59 g/mol. Its IUPAC name is bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Namebis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID157286652
Molecular FormulaC210H243N53O39
Molecular Weight4133.59 g/mol
Exact Mass4130.87
IUPAC Namebis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC.C.C.C.C.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.CC(C)N1CC[C@H](NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)C1=O.CNC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4ccnn34)(CC1)CC2.CNC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC(=O)NC(C)(C)C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4nccc4n3)cc21
InChIInChI=1S/C28H31N7O5.C27H30N6O4.C26H29N7O5.2C26H28N6O5.C25H27N7O5.C24H25N7O5.C23H25N7O5.5CH4/c1-29-25(38)28-9-6-27(7-10-28,8-11-28)16-31-24(37)20-14-18(33-22-5-12-32-35(20)22)23(36)30-15-17-3-4-21-19(13-17)34(2)26(39)40-21;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;1-27-23(34)17-6-3-15(4-7-17)13-29-25(36)20-12-18(31-22-9-10-30-33(20)22)24(35)28-14-16-5-8-21-19(11-16)32(2)26(37)38-21;2*1-15(33)18-6-3-16(4-7-18)13-28-25(35)21-12-19(30-23-9-10-29-32(21)23)24(34)27-14-17-5-8-22-20(11-17)31(2)26(36)37-22;1-25(2,3)31-10-8-15(23(31)35)29-22(34)18-12-16(28-20-7-9-27-32(18)20)21(33)26-13-14-5-6-19-17(11-14)30(4)24(36)37-19;1-13(2)30-9-7-15(23(30)34)28-22(33)18-11-16(27-20-6-8-26-31(18)20)21(32)25-12-14-4-5-19-17(10-14)29(3)24(35)36-19;1-23(2,3)28-19(31)12-25-21(33)16-10-14(27-18-7-8-26-30(16)18)20(32)24-11-13-5-6-17-15(9-13)29(4)22(34)35-17;;;;;/h3-5,12-14H,6-11,15-16H2,1-2H3,(H,29,38)(H,30,36)(H,31,37);3-5,12-14H,6-11,15-16H2,1-2H3,(H,28,34)(H,29,35);5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3,(H,27,34)(H,28,35)(H,29,36);2*5,8-12,16,18H,3-4,6-7,13-14H2,1-2H3,(H,27,34)(H,28,35);5-7,9,11-12,15H,8,10,13H2,1-4H3,(H,26,33)(H,29,34);4-6,8,10-11,13,15H,7,9,12H2,1-3H3,(H,25,32)(H,28,33);5-10H,11-12H2,1-4H3,(H,24,32)(H,25,33)(H,28,31);5*1H4/t;;;;;2*15-;;;;;;/m.....00....../s1
InChIKeyBAHSSWXPJLYSHM-QHRKKMNESA-N
XLogP16.97
TPSA1150.30 Ų
H-Bond Donors19
H-Bond Acceptors71
Rotatable Bonds51
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004133.59
LogP ≤ 516.97
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1071

Analyze bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157286652) is bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C.C.C.C.C.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.CC(C)N1CC[C@H](NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)C1=O.CNC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5oc(=O)n(C)c5c4)nc4ccnn34)(CC1)CC2.CNC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)CC1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC(=O)NC(C)(C)C)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(C)(CC4)CC5)n4nccc4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCN(C(C)(C)C)C4=O)n4nccc4n3)cc21.
What is the InChIKey of bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BAHSSWXPJLYSHM-QHRKKMNESA-N. The full InChI is InChI=1S/C28H31N7O5.C27H30N6O4.C26H29N7O5.2C26H28N6O5.C25H27N7O5.C24H25N7O5.C23H25N7O5.5CH4/c1-29-25(38)28-9-6-27(7-10-28,8-11-28)16-31-24(37)20-14-18(33-22-5-12-32-35(20)22)23(36)30-15-17-3-4-21-19(13-17)34(2)26(39)40-21;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;1-27-23(34)17-6-3-15(4-7-17)13-29-25(36)20-12-18(31-22-9-10-30-33(20)22)24(35)28-14-16-5-8-21-19(11-16)32(2)26(37)38-21;2*1-15(33)18-6-3-16(4-7-18)13-28-25(35)21-12-19(30-23-9-10-29-32(21)23)24(34)27-14-17-5-8-22-20(11-17)31(2)26(36)37-22;1-25(2,3)31-10-8-15(23(31)35)29-22(34)18-12-16(28-20-7-9-27-32(18)20)21(33)26-13-14-5-6-19-17(11-14)30(4)24(36)37-19;1-13(2)30-9-7-15(23(30)34)28-22(33)18-11-16(27-20-6-8-26-31(18)20)21(32)25-12-14-4-5-19-17(10-14)29(3)24(35)36-19;1-23(2,3)28-19(31)12-25-21(33)16-10-14(27-18-7-8-26-30(16)18)20(32)24-11-13-5-6-17-15(9-13)29(4)22(34)35-17;;;;;/h3-5,12-14H,6-11,15-16H2,1-2H3,(H,29,38)(H,30,36)(H,31,37);3-5,12-14H,6-11,15-16H2,1-2H3,(H,28,34)(H,29,35);5,8-12,15,17H,3-4,6-7,13-14H2,1-2H3,(H,27,34)(H,28,35)(H,29,36);2*5,8-12,16,18H,3-4,6-7,13-14H2,1-2H3,(H,27,34)(H,28,35);5-7,9,11-12,15H,8,10,13H2,1-4H3,(H,26,33)(H,29,34);4-6,8,10-11,13,15H,7,9,12H2,1-3H3,(H,25,32)(H,28,33);5-10H,11-12H2,1-4H3,(H,24,32)(H,25,33)(H,28,31);5*1H4/t;;;;;2*15-;;;;;;/m.....00....../s1.
What are the key properties of bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 4133.59 g/mol, XLogP of 16.97, 51 rotatable bonds, 19 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxopyrrolidin-3-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;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-(methylcarbamoyl)-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-(methylcarbamoyl)cyclohexyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157286652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).