5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C55H47ClF2N16O6 — CID 91354943

About 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 91354943) has the molecular formula C55H47ClF2N16O6 and a molecular weight of 1101.54 g/mol. Its IUPAC name is 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 91354943
• Molecular Formula: C55H47ClF2N16O6
• Molecular Weight: 1101.54 g/mol
• Exact Mass: 1100.35
• IUPAC Name: 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)NO1.C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)NO1
• InChI: InChI=1S/C28H25FN8O3.C27H22ClFN8O3/c1-14-10-17(4-8-21(14)29)12-30-26(38)23-11-24(37-28(35-23)31-13-32-37)27(39)34-22-9-7-18-15(2)19(5-6-20(18)22)25-33-16(3)40-36-25;1-13-16-6-8-21(18(16)5-4-17(13)24-33-14(2)40-36-24)34-26(39)23-10-22(35-27-31-12-32-37(23)27)25(38)30-11-15-3-7-20(29)19(28)9-15/h4-6,8,10-11,13,22H,3,7,9,12H2,1-2H3,(H,30,38)(H,33,36)(H,34,39);3-5,7,9-10,12,21H,2,6,8,11H2,1H3,(H,30,38)(H,33,36)(H,34,39)/t22-;21-/m00/s1
• InChIKey: PRTJCNMLOOTLHH-RANJIIOLSA-N
• XLogP: 6.31
• TPSA: 269.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1101.54
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 91354943) is 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)nc3ncnn23)NO1.C=C1N=C(c2ccc3c(c2C)CC[C@@H]3NC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3ncnn23)NO1.

What is the InChIKey of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is PRTJCNMLOOTLHH-RANJIIOLSA-N. The full InChI is InChI=1S/C28H25FN8O3.C27H22ClFN8O3/c1-14-10-17(4-8-21(14)29)12-30-26(38)23-11-24(37-28(35-23)31-13-32-37)27(39)34-22-9-7-18-15(2)19(5-6-20(18)22)25-33-16(3)40-36-25;1-13-16-6-8-21(18(16)5-4-17(13)24-33-14(2)40-36-24)34-26(39)23-10-22(35-27-31-12-32-37(23)27)25(38)30-11-15-3-7-20(29)19(28)9-15/h4-6,8,10-11,13,22H,3,7,9,12H2,1-2H3,(H,30,38)(H,33,36)(H,34,39);3-5,7,9-10,12,21H,2,6,8,11H2,1H3,(H,30,38)(H,33,36)(H,34,39)/t22-;21-/m00/s1.

What are the key properties of 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 1101.54 g/mol, XLogP of 6.31, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[(1S)-4-methyl-5-(5-methylidene-2H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 91354943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).