2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one

C157H150F3N39O8 — CID 159632986

About 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one

2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one (PubChem CID 159632986) has the molecular formula C157H150F3N39O8 and a molecular weight of 2768.19 g/mol. Its IUPAC name is 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one.

Molecular Properties

• Compound Name: 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one
• PubChem CID: 159632986
• Molecular Formula: C157H150F3N39O8
• Molecular Weight: 2768.19 g/mol
• Exact Mass: 2766.25
• IUPAC Name: 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one
• SMILES: CC(CO)n1ccnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(n1ccnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1)C(F)(F)F.CCC(C)n1ccnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCC(C)n1ccnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.COCC(C)n1ccnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.Cc1c(C2CC2)ncn1-c1ccc2cnn(-c3cccc(-c4nccn4C(C)C)n3)c(=O)c2c1
• InChI: InChI=1S/C27H28N6O.C27H26N6O.C26H23F3N6O.C26H25N7O2.C26H25N7O.C25H23N7O2/c2*1-3-18(2)32-14-12-28-26(32)23-5-4-6-25(30-23)33-13-11-19-9-10-21(15-22(19)27(33)34)31-16-24(29-17-31)20-7-8-20;1-16(26(27,28)29)34-12-10-30-24(34)21-3-2-4-23(32-21)35-11-9-17-7-8-19(13-20(17)25(35)36)33-14-22(31-15-33)18-5-6-18;1-17(14-35-2)32-11-10-27-25(32)22-4-3-5-24(30-22)33-16-29-21-9-8-19(12-20(21)26(33)34)31-13-23(28-15-31)18-6-7-18;1-16(2)31-12-11-27-25(31)22-5-4-6-23(30-22)33-26(34)21-13-20(10-9-19(21)14-29-33)32-15-28-24(17(32)3)18-7-8-18;1-16(13-33)31-10-9-26-24(31)21-3-2-4-23(29-21)32-15-28-20-8-7-18(11-19(20)25(32)34)30-12-22(27-14-30)17-5-6-17/h4-6,9-10,12,14-18,20H,3,7-8,11,13H2,1-2H3;4-6,9-18,20H,3,7-8H2,1-2H3;2-4,7-8,10,12-16,18H,5-6,9,11H2,1H3;3-5,8-13,15-18H,6-7,14H2,1-2H3;4-6,9-16,18H,7-8H2,1-3H3;2-4,7-12,14-17,33H,5-6,13H2,1H3
• InChIKey: MPJGBASOUDJXSM-UHFFFAOYSA-N
• XLogP: 27.57
• TPSA: 487.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.19
LogP ≤ 5	27.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?

The IUPAC name of 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one (CID 159632986) is 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one.

What is the SMILES notation for 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?

The canonical SMILES for 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one is CC(CO)n1ccnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.CC(n1ccnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1)C(F)(F)F.CCC(C)n1ccnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCC(C)n1ccnc1-c1cccc(N2CCc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.COCC(C)n1ccnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.Cc1c(C2CC2)ncn1-c1ccc2cnn(-c3cccc(-c4nccn4C(C)C)n3)c(=O)c2c1.

What is the InChIKey of 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?

The InChIKey is MPJGBASOUDJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O.C27H26N6O.C26H23F3N6O.C26H25N7O2.C26H25N7O.C25H23N7O2/c2*1-3-18(2)32-14-12-28-26(32)23-5-4-6-25(30-23)33-13-11-19-9-10-21(15-22(19)27(33)34)31-16-24(29-17-31)20-7-8-20;1-16(26(27,28)29)34-12-10-30-24(34)21-3-2-4-23(32-21)35-11-9-17-7-8-19(13-20(17)25(35)36)33-14-22(31-15-33)18-5-6-18;1-17(14-35-2)32-11-10-27-25(32)22-4-3-5-24(30-22)33-16-29-21-9-8-19(12-20(21)26(33)34)31-13-23(28-15-31)18-6-7-18;1-16(2)31-12-11-27-25(31)22-5-4-6-23(30-22)33-26(34)21-13-20(10-9-19(21)14-29-33)32-15-28-24(17(32)3)18-7-8-18;1-16(13-33)31-10-9-26-24(31)21-3-2-4-23(29-21)32-15-28-20-8-7-18(11-19(20)25(32)34)30-12-22(27-14-30)17-5-6-17/h4-6,9-10,12,14-18,20H,3,7-8,11,13H2,1-2H3;4-6,9-18,20H,3,7-8H2,1-2H3;2-4,7-8,10,12-16,18H,5-6,9,11H2,1H3;3-5,8-13,15-18H,6-7,14H2,1-2H3;4-6,9-16,18H,7-8H2,1-3H3;2-4,7-12,14-17,33H,5-6,13H2,1H3.

What are the key properties of 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one?

2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one has a molecular weight of 2768.19 g/mol, XLogP of 27.57, 35 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-3,4-dihydroisoquinolin-1-one;2-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-hydroxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropyl-5-methylimidazol-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one is sourced from PubChem (CID 159632986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).