7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C151H151Cl2F4N39O23 — CID 161053211

IUPAC7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)CC1.CC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)CN(c3c(N)c(=O)c3=O)CC4)nc3ncnn23)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)cc1.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCC2CCCCC2)n2ncc(F)c2n1
InChIInChI=1S/C31H28N8O5.C26H23N7O5.C25H27N7O5.C24H27FN6O3.C23H24ClFN6O3.C22H22ClF2N5O2/c1-16(19-5-7-20(8-6-19)17(2)40)36-30(44)24-12-23(37-31-34-15-35-39(24)31)29(43)33-13-18-3-4-21-9-10-38(14-22(21)11-18)26-25(32)27(41)28(26)42;1-14(17-4-6-18(7-5-17)15(2)34)30-25(37)21-10-20(32-26-28-13-29-33(21)26)24(36)27-11-16-3-8-22-19(9-16)31-23(35)12-38-22;1-14(33)17-5-2-15(3-6-17)10-27-24(36)20-9-19(31-25-28-13-29-32(20)25)23(35)26-11-16-4-7-21-18(8-16)30-22(34)12-37-21;1-14-9-17(5-8-19(14)25)12-26-22(33)20-10-21(31-24(30-20)28-13-29-31)23(34)27-11-16-3-6-18(7-4-16)15(2)32;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-18(25)17(24)8-15;23-15-8-14(6-7-16(15)24)11-26-21(31)18-9-19(30-20(29-18)17(25)12-28-30)22(32)27-10-13-4-2-1-3-5-13/h3-8,11-12,15-16H,9-10,13-14,32H2,1-2H3,(H,33,43)(H,36,44);3-10,13-14H,11-12H2,1-2H3,(H,27,36)(H,30,37)(H,31,35);4,7-9,13,15,17H,2-3,5-6,10-12H2,1H3,(H,26,35)(H,27,36)(H,30,34);5,8-10,13,16,18H,3-4,6-7,11-12H2,1-2H3,(H,26,33)(H,27,34);4,7-9,12,14,16H,2-3,5-6,10-11H2,1H3,(H,26,33)(H,27,34);6-9,12-13H,1-5,10-11H2,(H,26,31)(H,27,32)/t16-;14-;;;;/m00..../s1
InChIKeyUCKFDTIPQUJEPV-MVDQWQFVSA-N
MW3027.02 g/mol
LogP14.58
Rot. Bonds42

About 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 161053211) has the molecular formula C151H151Cl2F4N39O23 and a molecular weight of 3027.02 g/mol. Its IUPAC name is 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID161053211
Molecular FormulaC151H151Cl2F4N39O23
Molecular Weight3027.02 g/mol
Exact Mass3024.12
IUPAC Name7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)CC1.CC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)CN(c3c(N)c(=O)c3=O)CC4)nc3ncnn23)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)cc1.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCC2CCCCC2)n2ncc(F)c2n1
InChIInChI=1S/C31H28N8O5.C26H23N7O5.C25H27N7O5.C24H27FN6O3.C23H24ClFN6O3.C22H22ClF2N5O2/c1-16(19-5-7-20(8-6-19)17(2)40)36-30(44)24-12-23(37-31-34-15-35-39(24)31)29(43)33-13-18-3-4-21-9-10-38(14-22(21)11-18)26-25(32)27(41)28(26)42;1-14(17-4-6-18(7-5-17)15(2)34)30-25(37)21-10-20(32-26-28-13-29-33(21)26)24(36)27-11-16-3-8-22-19(9-16)31-23(35)12-38-22;1-14(33)17-5-2-15(3-6-17)10-27-24(36)20-9-19(31-25-28-13-29-32(20)25)23(35)26-11-16-4-7-21-18(8-16)30-22(34)12-37-21;1-14-9-17(5-8-19(14)25)12-26-22(33)20-10-21(31-24(30-20)28-13-29-31)23(34)27-11-16-3-6-18(7-4-16)15(2)32;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-18(25)17(24)8-15;23-15-8-14(6-7-16(15)24)11-26-21(31)18-9-19(30-20(29-18)17(25)12-28-30)22(32)27-10-13-4-2-1-3-5-13/h3-8,11-12,15-16H,9-10,13-14,32H2,1-2H3,(H,33,43)(H,36,44);3-10,13-14H,11-12H2,1-2H3,(H,27,36)(H,30,37)(H,31,35);4,7-9,13,15,17H,2-3,5-6,10-12H2,1H3,(H,26,35)(H,27,36)(H,30,34);5,8-10,13,16,18H,3-4,6-7,11-12H2,1-2H3,(H,26,33)(H,27,34);4,7-9,12,14,16H,2-3,5-6,10-11H2,1H3,(H,26,33)(H,27,34);6-9,12-13H,1-5,10-11H2,(H,26,31)(H,27,32)/t16-;14-;;;;/m00..../s1
InChIKeyUCKFDTIPQUJEPV-MVDQWQFVSA-N
XLogP14.58
TPSA820.20 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds42
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003027.02
LogP ≤ 514.58
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

7-N-[(1S)-5-[(2S)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-hydroxybutyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90800002
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90923557
7-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91452829
7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91481475
CID 157057769
CID 157057769
CID 157061342
CID 157061342
7-[(5-acetyl-2,3-dihydro-1H-inden-1-yl)amino]-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-5,7a-dihydro-4aH-pyrrolo[3,2-d]pyrimidine-4-carboxamide;3-(benzylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-benzylimino-N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-3a,7a-dihydro-2H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[(3-chloro-4-methylphenyl)methylamino]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;7-[(3-chloro-4-methylphenyl)methylamino]-5-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4a,7a-dihydropyrrolo[3,2-d]pyrimidine-4-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[1-(3-methylidene-4H-1,4-benzoxazin-6-yl)ethylamino]pyrazolo[4,3-d]pyrimidine-7-carboxamide
CID 157110291
CID 157116233
CID 157116233
CID 157124869
CID 157124869
CID 157134493
CID 157134493
CID 157183777
CID 157183777
CID 157216748
CID 157216748

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 161053211) is 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)CC1.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)CC1.CC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)CN(c3c(N)c(=O)c3=O)CC4)nc3ncnn23)cc1.CC(=O)c1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ncnn23)cc1.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCC2CCCCC2)n2ncc(F)c2n1.
What is the InChIKey of 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is UCKFDTIPQUJEPV-MVDQWQFVSA-N. The full InChI is InChI=1S/C31H28N8O5.C26H23N7O5.C25H27N7O5.C24H27FN6O3.C23H24ClFN6O3.C22H22ClF2N5O2/c1-16(19-5-7-20(8-6-19)17(2)40)36-30(44)24-12-23(37-31-34-15-35-39(24)31)29(43)33-13-18-3-4-21-9-10-38(14-22(21)11-18)26-25(32)27(41)28(26)42;1-14(17-4-6-18(7-5-17)15(2)34)30-25(37)21-10-20(32-26-28-13-29-33(21)26)24(36)27-11-16-3-8-22-19(9-16)31-23(35)12-38-22;1-14(33)17-5-2-15(3-6-17)10-27-24(36)20-9-19(31-25-28-13-29-32(20)25)23(35)26-11-16-4-7-21-18(8-16)30-22(34)12-37-21;1-14-9-17(5-8-19(14)25)12-26-22(33)20-10-21(31-24(30-20)28-13-29-31)23(34)27-11-16-3-6-18(7-4-16)15(2)32;1-13(32)16-5-2-14(3-6-16)10-27-22(34)20-9-19(30-23-28-12-29-31(20)23)21(33)26-11-15-4-7-18(25)17(24)8-15;23-15-8-14(6-7-16(15)24)11-26-21(31)18-9-19(30-20(29-18)17(25)12-28-30)22(32)27-10-13-4-2-1-3-5-13/h3-8,11-12,15-16H,9-10,13-14,32H2,1-2H3,(H,33,43)(H,36,44);3-10,13-14H,11-12H2,1-2H3,(H,27,36)(H,30,37)(H,31,35);4,7-9,13,15,17H,2-3,5-6,10-12H2,1H3,(H,26,35)(H,27,36)(H,30,34);5,8-10,13,16,18H,3-4,6-7,11-12H2,1-2H3,(H,26,33)(H,27,34);4,7-9,12,14,16H,2-3,5-6,10-11H2,1H3,(H,26,33)(H,27,34);6-9,12-13H,1-5,10-11H2,(H,26,31)(H,27,32)/t16-;14-;;;;/m00..../s1.
What are the key properties of 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3027.02 g/mol, XLogP of 14.58, 42 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-acetylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-(cyclohexylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 161053211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).