N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C77H76F10N16O8 — CID 159313145

About N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 159313145) has the molecular formula C77H76F10N16O8 and a molecular weight of 1543.54 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
• PubChem CID: 159313145
• Molecular Formula: C77H76F10N16O8
• Molecular Weight: 1543.54 g/mol
• Exact Mass: 1542.59
• IUPAC Name: N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
• SMILES: CCOc1cccc(-c2cc(C)n3cnc(C(=O)NC(C)C(F)(F)F)c3n2)c1.CCc1cc(Oc2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.COc1cccc(-c2cc(C)n3cnc(C(=O)NC(C)C(F)(F)F)c3n2)c1.Cc1cc(-c2cccc(OC3CC3)c2)nc2c(C(=O)NC(C)C(F)(F)F)ncn12
• InChI: InChI=1S/C20H19F3N4O2.C20H21FN4O2.C19H19F3N4O2.C18H17F3N4O2/c1-11-8-16(13-4-3-5-15(9-13)29-14-6-7-14)26-18-17(24-10-27(11)18)19(28)25-12(2)20(21,22)23;1-3-15-10-17(27-16-8-6-14(21)7-9-16)24-19-18(22-11-25(15)19)20(26)23-12(2)13-4-5-13;1-4-28-14-7-5-6-13(9-14)15-8-11(2)26-10-23-16(17(26)25-15)18(27)24-12(3)19(20,21)22;1-10-7-14(12-5-4-6-13(8-12)27-3)24-16-15(22-9-25(10)16)17(26)23-11(2)18(19,20)21/h3-5,8-10,12,14H,6-7H2,1-2H3,(H,25,28);6-13H,3-5H2,1-2H3,(H,23,26);5-10,12H,4H2,1-3H3,(H,24,27);4-9,11H,1-3H3,(H,23,26)/t;12-;;/m.0../s1
• InChIKey: LCUMGWXVFAEVNG-VIFFUBBASA-N
• XLogP: 14.86
• TPSA: 274.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.54
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?

The IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 159313145) is N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is CCOc1cccc(-c2cc(C)n3cnc(C(=O)NC(C)C(F)(F)F)c3n2)c1.CCc1cc(Oc2ccc(F)cc2)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.COc1cccc(-c2cc(C)n3cnc(C(=O)NC(C)C(F)(F)F)c3n2)c1.Cc1cc(-c2cccc(OC3CC3)c2)nc2c(C(=O)NC(C)C(F)(F)F)ncn12.

What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?

The InChIKey is LCUMGWXVFAEVNG-VIFFUBBASA-N. The full InChI is InChI=1S/C20H19F3N4O2.C20H21FN4O2.C19H19F3N4O2.C18H17F3N4O2/c1-11-8-16(13-4-3-5-15(9-13)29-14-6-7-14)26-18-17(24-10-27(11)18)19(28)25-12(2)20(21,22)23;1-3-15-10-17(27-16-8-6-14(21)7-9-16)24-19-18(22-11-25(15)19)20(26)23-12(2)13-4-5-13;1-4-28-14-7-5-6-13(9-14)15-8-11(2)26-10-23-16(17(26)25-15)18(27)24-12(3)19(20,21)22;1-10-7-14(12-5-4-6-13(8-12)27-3)24-16-15(22-9-25(10)16)17(26)23-11(2)18(19,20)21/h3-5,8-10,12,14H,6-7H2,1-2H3,(H,25,28);6-13H,3-5H2,1-2H3,(H,23,26);5-10,12H,4H2,1-3H3,(H,24,27);4-9,11H,1-3H3,(H,23,26)/t;12-;;/m.0../s1.

What are the key properties of N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?

N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 1543.54 g/mol, XLogP of 14.86, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyclopropyloxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-ethoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159313145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).