7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C205H175ClF7N49O31S4 — CID 161062085

IUPAC7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12.CC(=O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n2ncc(F)c2n1.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)n2nnnc2n1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3nonc3c2)nc2ncnn12.Cc1cc(CNC(=O)c2cc(C(=O)NC3CS(=O)(=O)c4c3ccc(C)c4C)n3nccc3n2)ccc1F.[C-]#[N+]c1ccc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4c3ccc(C(C)=O)c4C)n3ncnc3n2)s1
InChIInChI=1S/C26H20ClF2N5O4.C26H24FN7O3.C26H24FN5O4S.C26H22FN5O3.C26H22N8O4.2C25H21FN6O5S.C25H21N7O3S/c1-12(35)14-3-4-16-15(7-14)8-22(36)23(16)33-25(37)20-9-21(34-24(32-20)19(29)11-31-34)26(38)30-10-13-2-5-18(28)17(27)6-13;1-13-10-16(4-8-20(13)27)12-28-25(37)23-11-22(30-26-31-32-33-34(23)26)24(36)29-21-9-7-18-14(2)17(15(3)35)5-6-19(18)21;1-14-4-6-18-21(13-37(35,36)24(18)16(14)3)31-26(34)22-11-20(30-23-8-9-29-32(22)23)25(33)28-12-17-5-7-19(27)15(2)10-17;1-15(33)17-4-8-20-18(12-17)5-9-21(20)31-26(35)23-13-22(30-24-10-11-29-32(23)24)25(34)28-14-16-2-6-19(27)7-3-16;1-13-16(14(2)35)4-5-18-17(13)6-8-19(18)30-25(37)23-10-22(31-26-28-12-29-34(23)26)24(36)27-11-15-3-7-20-21(9-15)33-38-32-20;2*1-13-7-15(3-6-18(13)26)10-27-23(34)19-9-21(32-25(31-19)28-12-29-32)24(35)30-20-11-38(36,37)22-8-16(14(2)33)4-5-17(20)22;1-13-16(14(2)33)5-6-18-17(13)7-8-19(18)30-24(35)21-10-20(31-25-28-12-29-32(21)25)23(34)27-11-15-4-9-22(26-3)36-15/h2-7,9,11,22-23,36H,8,10H2,1H3,(H,30,38)(H,33,37);4-6,8,10-11,21H,7,9,12H2,1-3H3,(H,28,37)(H,29,36);4-11,21H,12-13H2,1-3H3,(H,28,33)(H,31,34);2-4,6-8,10-13,21H,5,9,14H2,1H3,(H,28,34)(H,31,35);3-5,7,9-10,12,19H,6,8,11H2,1-2H3,(H,27,36)(H,30,37);2*3-9,12,20H,10-11H2,1-2H3,(H,27,34)(H,30,35);4-6,9-10,12,19H,7-8,11H2,1-2H3,(H,27,34)(H,30,35)/t22-,23+;21-;;21-;19-;;;19-/m00.00..0/s1
InChIKeyUDNKZFRFHVXANQ-QRBLWDMMSA-N
MW4117.67 g/mol
LogP22.45
Rot. Bonds47

About 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 161062085) has the molecular formula C205H175ClF7N49O31S4 and a molecular weight of 4117.67 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID161062085
Molecular FormulaC205H175ClF7N49O31S4
Molecular Weight4117.67 g/mol
Exact Mass4114.21
IUPAC Name7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12.CC(=O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n2ncc(F)c2n1.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)n2nnnc2n1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3nonc3c2)nc2ncnn12.Cc1cc(CNC(=O)c2cc(C(=O)NC3CS(=O)(=O)c4c3ccc(C)c4C)n3nccc3n2)ccc1F.[C-]#[N+]c1ccc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4c3ccc(C(C)=O)c4C)n3ncnc3n2)s1
InChIInChI=1S/C26H20ClF2N5O4.C26H24FN7O3.C26H24FN5O4S.C26H22FN5O3.C26H22N8O4.2C25H21FN6O5S.C25H21N7O3S/c1-12(35)14-3-4-16-15(7-14)8-22(36)23(16)33-25(37)20-9-21(34-24(32-20)19(29)11-31-34)26(38)30-10-13-2-5-18(28)17(27)6-13;1-13-10-16(4-8-20(13)27)12-28-25(37)23-11-22(30-26-31-32-33-34(23)26)24(36)29-21-9-7-18-14(2)17(15(3)35)5-6-19(18)21;1-14-4-6-18-21(13-37(35,36)24(18)16(14)3)31-26(34)22-11-20(30-23-8-9-29-32(22)23)25(33)28-12-17-5-7-19(27)15(2)10-17;1-15(33)17-4-8-20-18(12-17)5-9-21(20)31-26(35)23-13-22(30-24-10-11-29-32(23)24)25(34)28-14-16-2-6-19(27)7-3-16;1-13-16(14(2)35)4-5-18-17(13)6-8-19(18)30-25(37)23-10-22(31-26-28-12-29-34(23)26)24(36)27-11-15-3-7-20-21(9-15)33-38-32-20;2*1-13-7-15(3-6-18(13)26)10-27-23(34)19-9-21(32-25(31-19)28-12-29-32)24(35)30-20-11-38(36,37)22-8-16(14(2)33)4-5-17(20)22;1-13-16(14(2)33)5-6-18-17(13)7-8-19(18)30-24(35)21-10-20(31-25-28-12-29-32(21)25)23(34)27-11-15-4-9-22(26-3)36-15/h2-7,9,11,22-23,36H,8,10H2,1H3,(H,30,38)(H,33,37);4-6,8,10-11,21H,7,9,12H2,1-3H3,(H,28,37)(H,29,36);4-11,21H,12-13H2,1-3H3,(H,28,33)(H,31,34);2-4,6-8,10-13,21H,5,9,14H2,1H3,(H,28,34)(H,31,35);3-5,7,9-10,12,19H,6,8,11H2,1-2H3,(H,27,36)(H,30,37);2*3-9,12,20H,10-11H2,1-2H3,(H,27,34)(H,30,35);4-6,9-10,12,19H,7-8,11H2,1-2H3,(H,27,34)(H,30,35)/t22-,23+;21-;;21-;19-;;;19-/m00.00..0/s1
InChIKeyUDNKZFRFHVXANQ-QRBLWDMMSA-N
XLogP22.45
TPSA1069.88 Ų
H-Bond Donors17
H-Bond Acceptors64
Rotatable Bonds47
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004117.67
LogP ≤ 522.45
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1064

Analyze 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]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-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 161062085) is 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12.CC(=O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n2ncc(F)c2n1.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1)S(=O)(=O)CC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)n2nnnc2n1.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3nonc3c2)nc2ncnn12.Cc1cc(CNC(=O)c2cc(C(=O)NC3CS(=O)(=O)c4c3ccc(C)c4C)n3nccc3n2)ccc1F.[C-]#[N+]c1ccc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4c3ccc(C(C)=O)c4C)n3ncnc3n2)s1.
What is the InChIKey of 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is UDNKZFRFHVXANQ-QRBLWDMMSA-N. The full InChI is InChI=1S/C26H20ClF2N5O4.C26H24FN7O3.C26H24FN5O4S.C26H22FN5O3.C26H22N8O4.2C25H21FN6O5S.C25H21N7O3S/c1-12(35)14-3-4-16-15(7-14)8-22(36)23(16)33-25(37)20-9-21(34-24(32-20)19(29)11-31-34)26(38)30-10-13-2-5-18(28)17(27)6-13;1-13-10-16(4-8-20(13)27)12-28-25(37)23-11-22(30-26-31-32-33-34(23)26)24(36)29-21-9-7-18-14(2)17(15(3)35)5-6-19(18)21;1-14-4-6-18-21(13-37(35,36)24(18)16(14)3)31-26(34)22-11-20(30-23-8-9-29-32(22)23)25(33)28-12-17-5-7-19(27)15(2)10-17;1-15(33)17-4-8-20-18(12-17)5-9-21(20)31-26(35)23-13-22(30-24-10-11-29-32(23)24)25(34)28-14-16-2-6-19(27)7-3-16;1-13-16(14(2)35)4-5-18-17(13)6-8-19(18)30-25(37)23-10-22(31-26-28-12-29-34(23)26)24(36)27-11-15-3-7-20-21(9-15)33-38-32-20;2*1-13-7-15(3-6-18(13)26)10-27-23(34)19-9-21(32-25(31-19)28-12-29-32)24(35)30-20-11-38(36,37)22-8-16(14(2)33)4-5-17(20)22;1-13-16(14(2)33)5-6-18-17(13)7-8-19(18)30-24(35)21-10-20(31-25-28-12-29-32(21)25)23(34)27-11-15-4-9-22(26-3)36-15/h2-7,9,11,22-23,36H,8,10H2,1H3,(H,30,38)(H,33,37);4-6,8,10-11,21H,7,9,12H2,1-3H3,(H,28,37)(H,29,36);4-11,21H,12-13H2,1-3H3,(H,28,33)(H,31,34);2-4,6-8,10-13,21H,5,9,14H2,1H3,(H,28,34)(H,31,35);3-5,7,9-10,12,19H,6,8,11H2,1-2H3,(H,27,36)(H,30,37);2*3-9,12,20H,10-11H2,1-2H3,(H,27,34)(H,30,35);4-6,9-10,12,19H,7-8,11H2,1-2H3,(H,27,34)(H,30,35)/t22-,23+;21-;;21-;19-;;;19-/m00.00..0/s1.
What are the key properties of 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 4117.67 g/mol, XLogP of 22.45, 47 rotatable bonds, 17 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S)-5-acetyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(7-N-(6-acetyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide);5-N-[(1R,2S)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-7-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,1,3-benzoxadiazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-7-N-[(4-fluoro-3-methylphenyl)methyl]tetrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-isocyanothiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(6,7-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 161062085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).