sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate

C57H78IN12NaO3 — CID 159194128

About sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate

sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate (PubChem CID 159194128) has the molecular formula C57H78IN12NaO3 and a molecular weight of 1129.23 g/mol. Its IUPAC name is sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate
• PubChem CID: 159194128
• Molecular Formula: C57H78IN12NaO3
• Molecular Weight: 1129.23 g/mol
• Exact Mass: 1128.53
• IUPAC Name: sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate
• SMILES: C.CC(C)(C)[O-].CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(C)c5)c(C)cc43)c2C1.Cc1cc2c(nc1-c1cnn(C)c1)CCCC2.[Na+]
• InChI: InChI=1S/C26H32N6O.C14H17N3.C12H16IN3O.C4H9O.CH4.Na/c1-4-24(33)30-10-11-32-23(16-30)26(28-25(32)18-7-8-18)31-9-5-6-19-13-21(17(2)12-22(19)31)20-14-27-29(3)15-20;1-10-7-11-5-3-4-6-13(11)16-14(10)12-8-15-17(2)9-12;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;1-4(2,3)5;;/h12-15,18H,4-11,16H2,1-3H3;7-9H,3-6H2,1-2H3;8H,2-7H2,1H3;1-3H3;1H4;/q;;;-1;;+1
• InChIKey: KOLIJALYMSMTNT-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 151.09 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1129.23
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate?

The IUPAC name of sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate (CID 159194128) is sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate.

What is the SMILES notation for sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate?

The canonical SMILES for sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate is C.CC(C)(C)[O-].CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(N3CCCc4cc(-c5cnn(C)c5)c(C)cc43)c2C1.Cc1cc2c(nc1-c1cnn(C)c1)CCCC2.[Na+].

What is the InChIKey of sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate?

The InChIKey is KOLIJALYMSMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O.C14H17N3.C12H16IN3O.C4H9O.CH4.Na/c1-4-24(33)30-10-11-32-23(16-30)26(28-25(32)18-7-8-18)31-9-5-6-19-13-21(17(2)12-22(19)31)20-14-27-29(3)15-20;1-10-7-11-5-3-4-6-13(11)16-14(10)12-8-15-17(2)9-12;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;1-4(2,3)5;;/h12-15,18H,4-11,16H2,1-3H3;7-9H,3-6H2,1-2H3;8H,2-7H2,1H3;1-3H3;1H4;/q;;;-1;;+1.

What are the key properties of sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate?

sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate has a molecular weight of 1129.23 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;methane;3-methyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;2-methylpropan-2-olate is sourced from PubChem (CID 159194128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).