3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C48H47F3N14O3 — CID 139543538

About 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139543538) has the molecular formula C48H47F3N14O3 and a molecular weight of 924.99 g/mol. Its IUPAC name is 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• PubChem CID: 139543538
• Molecular Formula: C48H47F3N14O3
• Molecular Weight: 924.99 g/mol
• Exact Mass: 924.39
• IUPAC Name: 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• SMILES: CNC(=O)N1CCn2c(C3CC3Cn3nc(-c4cnn(C)c4)c4cc(-c5nc(C6CC6)n6c5CN(C(C)=O)CC6)ccc43)nc(-c3ccnc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc34)c2C1
• InChI: InChI=1S/C48H47F3N14O3/c1-26(66)61-11-13-63-39(24-61)43(56-45(63)27-5-6-27)28-7-8-38-36(15-28)42(31-20-55-60(4)22-31)58-65(38)23-29-16-34(29)46-57-44(40-25-62(47(67)52-2)12-14-64(40)46)32-9-10-53-37-17-33(30-19-54-59(3)21-30)41(18-35(32)37)68-48(49,50)51/h7-10,15,17-22,27,29,34H,5-6,11-14,16,23-25H2,1-4H3,(H,52,67)
• InChIKey: FGKYAOHINRIKRK-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 163.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.99
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The IUPAC name of 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139543538) is 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

What is the SMILES notation for 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The canonical SMILES for 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3Cn3nc(-c4cnn(C)c4)c4cc(-c5nc(C6CC6)n6c5CN(C(C)=O)CC6)ccc43)nc(-c3ccnc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc34)c2C1.

What is the InChIKey of 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The InChIKey is FGKYAOHINRIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H47F3N14O3/c1-26(66)61-11-13-63-39(24-61)43(56-45(63)27-5-6-27)28-7-8-38-36(15-28)42(31-20-55-60(4)22-31)58-65(38)23-29-16-34(29)46-57-44(40-25-62(47(67)52-2)12-14-64(40)46)32-9-10-53-37-17-33(30-19-54-59(3)21-30)41(18-35(32)37)68-48(49,50)51/h7-10,15,17-22,27,29,34H,5-6,11-14,16,23-25H2,1-4H3,(H,52,67).

What are the key properties of 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 924.99 g/mol, XLogP of 7.21, 9 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[5-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139543538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).