2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C126H115F14N27O13 — CID 161269754

About 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 161269754) has the molecular formula C126H115F14N27O13 and a molecular weight of 2481.45 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
• PubChem CID: 161269754
• Molecular Formula: C126H115F14N27O13
• Molecular Weight: 2481.45 g/mol
• Exact Mass: 2479.89
• IUPAC Name: 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
• SMILES: C#CC(NC(=O)c1ncn2c(C)cc(-c3cccc(F)c3)nc12)C(F)(F)F.COc1cc(F)cc(-c2cc(C)n3cnc(C(=O)NC4C[C@H]5CC[C@@H](C4)C5OC)c3n2)c1.COc1cccc(-c2cc(C)n3cnc(C(=O)NC4C[C@H]5CC[C@@H](C4)C5OC)c3n2)c1.Cc1cc(-c2ccc3cnoc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3conc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3cnoc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
• InChI: InChI=1S/C24H27FN4O3.C24H28N4O3.3C20H16F3N5O2.C18H12F4N4O/c1-13-6-20(16-7-17(25)11-19(10-16)31-2)28-23-21(26-12-29(13)23)24(30)27-18-8-14-4-5-15(9-18)22(14)32-3;1-14-9-20(15-5-4-6-19(12-15)30-2)27-23-21(25-13-28(14)23)24(29)26-18-10-16-7-8-17(11-18)22(16)31-3;1-10-6-14(12-4-5-13-8-30-27-15(13)7-12)25-18-16(24-9-28(10)18)19(29)26-17(11-2-3-11)20(21,22)23;1-10-6-14(12-4-5-13-8-25-30-15(13)7-12)26-18-16(24-9-28(10)18)19(29)27-17(11-2-3-11)20(21,22)23;1-10-7-14(13-4-2-3-12-8-25-30-16(12)13)26-18-15(24-9-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-3-14(18(20,21)22)25-17(27)15-16-24-13(7-10(2)26(16)9-23-15)11-5-4-6-12(19)8-11/h6-7,10-12,14-15,18,22H,4-5,8-9H2,1-3H3,(H,27,30);4-6,9,12-13,16-18,22H,7-8,10-11H2,1-3H3,(H,26,29);4-9,11,17H,2-3H2,1H3,(H,26,29);4-9,11,17H,2-3H2,1H3,(H,27,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);1,4-9,14H,2H3,(H,25,27)/t14-,15+,18?,22?;16-,17+,18?,22?
• InChIKey: VDQRXMAPGREMKC-IEJZFTGFSA-N
• XLogP: 22.32
• TPSA: 470.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2481.45
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?

The IUPAC name of 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 161269754) is 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

What is the SMILES notation for 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?

The canonical SMILES for 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is C#CC(NC(=O)c1ncn2c(C)cc(-c3cccc(F)c3)nc12)C(F)(F)F.COc1cc(F)cc(-c2cc(C)n3cnc(C(=O)NC4C[C@H]5CC[C@@H](C4)C5OC)c3n2)c1.COc1cccc(-c2cc(C)n3cnc(C(=O)NC4C[C@H]5CC[C@@H](C4)C5OC)c3n2)c1.Cc1cc(-c2ccc3cnoc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2ccc3conc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3cnoc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.

What is the InChIKey of 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?

The InChIKey is VDQRXMAPGREMKC-IEJZFTGFSA-N. The full InChI is InChI=1S/C24H27FN4O3.C24H28N4O3.3C20H16F3N5O2.C18H12F4N4O/c1-13-6-20(16-7-17(25)11-19(10-16)31-2)28-23-21(26-12-29(13)23)24(30)27-18-8-14-4-5-15(9-18)22(14)32-3;1-14-9-20(15-5-4-6-19(12-15)30-2)27-23-21(25-13-28(14)23)24(29)26-18-10-16-7-8-17(11-18)22(16)31-3;1-10-6-14(12-4-5-13-8-30-27-15(13)7-12)25-18-16(24-9-28(10)18)19(29)26-17(11-2-3-11)20(21,22)23;1-10-6-14(12-4-5-13-8-25-30-15(13)7-12)26-18-16(24-9-28(10)18)19(29)27-17(11-2-3-11)20(21,22)23;1-10-7-14(13-4-2-3-12-8-25-30-16(12)13)26-18-15(24-9-28(10)18)19(29)27-17(11-5-6-11)20(21,22)23;1-3-14(18(20,21)22)25-17(27)15-16-24-13(7-10(2)26(16)9-23-15)11-5-4-6-12(19)8-11/h6-7,10-12,14-15,18,22H,4-5,8-9H2,1-3H3,(H,27,30);4-6,9,12-13,16-18,22H,7-8,10-11H2,1-3H3,(H,26,29);4-9,11,17H,2-3H2,1H3,(H,26,29);4-9,11,17H,2-3H2,1H3,(H,27,29);2-4,7-9,11,17H,5-6H2,1H3,(H,27,29);1,4-9,14H,2H3,(H,25,27)/t14-,15+,18?,22?;16-,17+,18?,22?;;;;.

What are the key properties of 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?

2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 2481.45 g/mol, XLogP of 22.32, 25 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,2-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzoxazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluorophenyl)-4-methyl-N-(1,1,1-trifluorobut-3-yn-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S,5R)-8-methoxy-3-bicyclo[3.2.1]octanyl]-2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 161269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).