7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C83H77F3N22O13S — CID 91033509

About 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 91033509) has the molecular formula C83H77F3N22O13S and a molecular weight of 1679.73 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 91033509
• Molecular Formula: C83H77F3N22O13S
• Molecular Weight: 1679.73 g/mol
• Exact Mass: 1678.57
• IUPAC Name: 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CN(S(N)(=O)=O)CC3)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(C(F)(F)F)c2)nc2ncnn12
• InChI: InChI=1S/C29H30N8O5S.C28H25N7O5.C26H22F3N7O3/c1-16-21(17(2)38)5-6-23-22(16)7-8-24(23)34-28(40)26-12-25(35-29-32-15-33-37(26)29)27(39)31-13-18-3-4-19-9-10-36(43(30,41)42)14-20(19)11-18;1-14-17(15(2)36)5-6-19-18(14)7-8-20(19)32-26(38)23-11-21(33-27-30-13-31-35(23)27)25(37)29-12-16-4-9-24-22(10-16)34(3)28(39)40-24;1-13-16(14(2)37)3-4-18-17(13)5-6-19(18)34-24(39)21-10-20(35-25-32-12-33-36(21)25)23(38)31-11-15-7-8-30-22(9-15)26(27,28)29/h3-6,11-12,15,24H,7-10,13-14H2,1-2H3,(H,31,39)(H,34,40)(H2,30,41,42);4-6,9-11,13,20H,7-8,12H2,1-3H3,(H,29,37)(H,32,38);3-4,7-10,12,19H,5-6,11H2,1-2H3,(H,31,38)(H,34,39)/t24-;20-;19-/m000/s1
• InChIKey: ZFUPAUMZSQAXHN-DZEJHFGJSA-N
• XLogP: 7.37
• TPSA: 466.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.73
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 91033509) is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CN(S(N)(=O)=O)CC3)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ncnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(C(F)(F)F)c2)nc2ncnn12.

What is the InChIKey of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is ZFUPAUMZSQAXHN-DZEJHFGJSA-N. The full InChI is InChI=1S/C29H30N8O5S.C28H25N7O5.C26H22F3N7O3/c1-16-21(17(2)38)5-6-23-22(16)7-8-24(23)34-28(40)26-12-25(35-29-32-15-33-37(26)29)27(39)31-13-18-3-4-19-9-10-36(43(30,41)42)14-20(19)11-18;1-14-17(15(2)36)5-6-19-18(14)7-8-20(19)32-26(38)23-11-21(33-27-30-13-31-35(23)27)25(37)29-12-16-4-9-24-22(10-16)34(3)28(39)40-24;1-13-16(14(2)37)3-4-18-17(13)5-6-19(18)34-24(39)21-10-20(35-25-32-12-33-36(21)25)23(38)31-11-15-7-8-30-22(9-15)26(27,28)29/h3-6,11-12,15,24H,7-10,13-14H2,1-2H3,(H,31,39)(H,34,40)(H2,30,41,42);4-6,9-11,13,20H,7-8,12H2,1-3H3,(H,29,37)(H,32,38);3-4,7-10,12,19H,5-6,11H2,1-2H3,(H,31,38)(H,34,39)/t24-;20-;19-/m000/s1.

What are the key properties of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 1679.73 g/mol, XLogP of 7.37, 19 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 91033509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).