6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide

C175H163F4N49O16S3 — CID 158796116

IUPAC6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide
SMILESC=C1N=C(c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)NO1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5ncn[nH]5)ccc43)ncn2)cs1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5ncnn5C)ccc43)ncn2)cs1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5nnn(C)n5)ccc43)ncn2)cs1.Cc1cc(CNC(=O)c2cc(C(=O)NC3CCCc4cc(-c5ncn[nH]5)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)NC3CCc4cc(-c5ncn[nH]5)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(N5N=NCC5=O)ccc43)ncn2)ccc1F
InChIInChI=1S/C26H24FN7O2.C26H23FN6O3.C25H22FN7O3.C25H22FN7O2.C25H25N7O2S.C24H24N8O2S.C24H23N7O2S/c1-15-9-16(5-8-20(15)27)12-28-25(35)22-11-23(30-13-29-22)26(36)33-21-4-2-3-17-10-18(6-7-19(17)21)24-31-14-32-34-24;1-14-9-16(3-7-20(14)27)12-28-25(34)22-11-23(30-13-29-22)26(35)32-21-8-5-17-10-18(4-6-19(17)21)24-31-15(2)36-33-24;1-14-8-15(2-6-19(14)26)11-27-24(35)21-10-22(29-13-28-21)25(36)31-20-7-3-16-9-17(4-5-18(16)20)33-23(34)12-30-32-33;1-14-8-15(2-6-19(14)26)11-27-24(34)21-10-22(29-12-28-21)25(35)32-20-7-4-16-9-17(3-5-18(16)20)23-30-13-31-33-23;1-3-18-8-15(12-35-18)11-26-24(33)21-10-22(28-13-27-21)25(34)31-20-7-5-16-9-17(4-6-19(16)20)23-29-14-30-32(23)2;1-3-17-8-14(12-35-17)11-25-23(33)20-10-21(27-13-26-20)24(34)28-19-7-5-15-9-16(4-6-18(15)19)22-29-31-32(2)30-22;1-2-17-7-14(11-34-17)10-25-23(32)20-9-21(27-12-26-20)24(33)30-19-6-4-15-8-16(3-5-18(15)19)22-28-13-29-31-22/h5-11,13-14,21H,2-4,12H2,1H3,(H,28,35)(H,33,36)(H,31,32,34);3-4,6-7,9-11,13,21H,2,5,8,12H2,1H3,(H,28,34)(H,31,33)(H,32,35);2,4-6,8-10,13,20H,3,7,11-12H2,1H3,(H,27,35)(H,31,36);2-3,5-6,8-10,12-13,20H,4,7,11H2,1H3,(H,27,34)(H,32,35)(H,30,31,33);4,6,8-10,12-14,20H,3,5,7,11H2,1-2H3,(H,26,33)(H,31,34);4,6,8-10,12-13,19H,3,5,7,11H2,1-2H3,(H,25,33)(H,28,34);3,5,7-9,11-13,19H,2,4,6,10H2,1H3,(H,25,32)(H,30,33)(H,28,29,31)/t;21-;20-;;20-;2*19-/m.00.000/s1
InChIKeyISWPJPYCYURCBE-YVQNSANZSA-N
MW3380.75 g/mol
LogP21.63
Rot. Bonds45

About 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 158796116) has the molecular formula C175H163F4N49O16S3 and a molecular weight of 3380.75 g/mol. Its IUPAC name is 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide
PubChem CID158796116
Molecular FormulaC175H163F4N49O16S3
Molecular Weight3380.75 g/mol
Exact Mass3378.25
IUPAC Name6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide
SMILESC=C1N=C(c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)NO1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5ncn[nH]5)ccc43)ncn2)cs1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5ncnn5C)ccc43)ncn2)cs1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5nnn(C)n5)ccc43)ncn2)cs1.Cc1cc(CNC(=O)c2cc(C(=O)NC3CCCc4cc(-c5ncn[nH]5)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)NC3CCc4cc(-c5ncn[nH]5)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(N5N=NCC5=O)ccc43)ncn2)ccc1F
InChIInChI=1S/C26H24FN7O2.C26H23FN6O3.C25H22FN7O3.C25H22FN7O2.C25H25N7O2S.C24H24N8O2S.C24H23N7O2S/c1-15-9-16(5-8-20(15)27)12-28-25(35)22-11-23(30-13-29-22)26(36)33-21-4-2-3-17-10-18(6-7-19(17)21)24-31-14-32-34-24;1-14-9-16(3-7-20(14)27)12-28-25(34)22-11-23(30-13-29-22)26(35)32-21-8-5-17-10-18(4-6-19(17)21)24-31-15(2)36-33-24;1-14-8-15(2-6-19(14)26)11-27-24(35)21-10-22(29-13-28-21)25(36)31-20-7-3-16-9-17(4-5-18(16)20)33-23(34)12-30-32-33;1-14-8-15(2-6-19(14)26)11-27-24(34)21-10-22(29-12-28-21)25(35)32-20-7-4-16-9-17(3-5-18(16)20)23-30-13-31-33-23;1-3-18-8-15(12-35-18)11-26-24(33)21-10-22(28-13-27-21)25(34)31-20-7-5-16-9-17(4-6-19(16)20)23-29-14-30-32(23)2;1-3-17-8-14(12-35-17)11-25-23(33)20-10-21(27-13-26-20)24(34)28-19-7-5-15-9-16(4-6-18(15)19)22-29-31-32(2)30-22;1-2-17-7-14(11-34-17)10-25-23(32)20-9-21(27-12-26-20)24(33)30-19-6-4-15-8-16(3-5-18(15)19)22-28-13-29-31-22/h5-11,13-14,21H,2-4,12H2,1H3,(H,28,35)(H,33,36)(H,31,32,34);3-4,6-7,9-11,13,21H,2,5,8,12H2,1H3,(H,28,34)(H,31,33)(H,32,35);2,4-6,8-10,13,20H,3,7,11-12H2,1H3,(H,27,35)(H,31,36);2-3,5-6,8-10,12-13,20H,4,7,11H2,1H3,(H,27,34)(H,32,35)(H,30,31,33);4,6,8-10,12-14,20H,3,5,7,11H2,1-2H3,(H,26,33)(H,31,34);4,6,8-10,12-13,19H,3,5,7,11H2,1-2H3,(H,25,33)(H,28,34);3,5,7-9,11-13,19H,2,4,6,10H2,1H3,(H,25,32)(H,30,33)(H,28,29,31)/t;21-;20-;;20-;2*19-/m.00.000/s1
InChIKeyISWPJPYCYURCBE-YVQNSANZSA-N
XLogP21.63
TPSA865.53 Ų
H-Bond Donors18
H-Bond Acceptors50
Rotatable Bonds45
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003380.75
LogP ≤ 521.63
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1050

Analyze 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide (CID 158796116) is 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide is C=C1N=C(c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)NO1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5ncn[nH]5)ccc43)ncn2)cs1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5ncnn5C)ccc43)ncn2)cs1.CCc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(-c5nnn(C)n5)ccc43)ncn2)cs1.Cc1cc(CNC(=O)c2cc(C(=O)NC3CCCc4cc(-c5ncn[nH]5)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)NC3CCc4cc(-c5ncn[nH]5)ccc43)ncn2)ccc1F.Cc1cc(CNC(=O)c2cc(C(=O)N[C@H]3CCc4cc(N5N=NCC5=O)ccc43)ncn2)ccc1F.
What is the InChIKey of 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
The InChIKey is ISWPJPYCYURCBE-YVQNSANZSA-N. The full InChI is InChI=1S/C26H24FN7O2.C26H23FN6O3.C25H22FN7O3.C25H22FN7O2.C25H25N7O2S.C24H24N8O2S.C24H23N7O2S/c1-15-9-16(5-8-20(15)27)12-28-25(35)22-11-23(30-13-29-22)26(36)33-21-4-2-3-17-10-18(6-7-19(17)21)24-31-14-32-34-24;1-14-9-16(3-7-20(14)27)12-28-25(34)22-11-23(30-13-29-22)26(35)32-21-8-5-17-10-18(4-6-19(17)21)24-31-15(2)36-33-24;1-14-8-15(2-6-19(14)26)11-27-24(35)21-10-22(29-13-28-21)25(36)31-20-7-3-16-9-17(4-5-18(16)20)33-23(34)12-30-32-33;1-14-8-15(2-6-19(14)26)11-27-24(34)21-10-22(29-12-28-21)25(35)32-20-7-4-16-9-17(3-5-18(16)20)23-30-13-31-33-23;1-3-18-8-15(12-35-18)11-26-24(33)21-10-22(28-13-27-21)25(34)31-20-7-5-16-9-17(4-6-19(16)20)23-29-14-30-32(23)2;1-3-17-8-14(12-35-17)11-25-23(33)20-10-21(27-13-26-20)24(34)28-19-7-5-15-9-16(4-6-18(15)19)22-29-31-32(2)30-22;1-2-17-7-14(11-34-17)10-25-23(32)20-9-21(27-12-26-20)24(33)30-19-6-4-15-8-16(3-5-18(15)19)22-28-13-29-31-22/h5-11,13-14,21H,2-4,12H2,1H3,(H,28,35)(H,33,36)(H,31,32,34);3-4,6-7,9-11,13,21H,2,5,8,12H2,1H3,(H,28,34)(H,31,33)(H,32,35);2,4-6,8-10,13,20H,3,7,11-12H2,1H3,(H,27,35)(H,31,36);2-3,5-6,8-10,12-13,20H,4,7,11H2,1H3,(H,27,34)(H,32,35)(H,30,31,33);4,6,8-10,12-14,20H,3,5,7,11H2,1-2H3,(H,26,33)(H,31,34);4,6,8-10,12-13,19H,3,5,7,11H2,1-2H3,(H,25,33)(H,28,34);3,5,7-9,11-13,19H,2,4,6,10H2,1H3,(H,25,32)(H,30,33)(H,28,29,31)/t;21-;20-;;20-;2*19-/m.00.000/s1.
What are the key properties of 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 3380.75 g/mol, XLogP of 21.63, 45 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(5-oxo-4H-triazol-1-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide;6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 158796116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).