1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone

C82H91N21O3 — CID 157371302

About 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone

1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 157371302) has the molecular formula C82H91N21O3 and a molecular weight of 1418.77 g/mol. Its IUPAC name is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

• Compound Name: 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
• PubChem CID: 157371302
• Molecular Formula: C82H91N21O3
• Molecular Weight: 1418.77 g/mol
• Exact Mass: 1417.76
• IUPAC Name: 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
• SMILES: CN(C)CCCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.CN(C)c1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1
• InChI: InChI=1S/C29H31N7O.C28H29N7O.C25H31N7O/c1-34(2)22-9-7-19(8-10-22)17-25(37)35-14-11-20(12-15-35)29-33-26(27-28(30)31-13-16-36(27)29)24-18-21-5-3-4-6-23(21)32-24;1-33(2)21-9-7-19(8-10-21)28(36)34-14-11-18(12-15-34)27-32-24(25-26(29)30-13-16-35(25)27)23-17-20-5-3-4-6-22(20)31-23;1-30(2)12-5-8-21(33)31-13-9-17(10-14-31)25-29-22(23-24(26)27-11-15-32(23)25)20-16-18-6-3-4-7-19(18)28-20/h3-10,13,16,18,20,32H,11-12,14-15,17H2,1-2H3,(H2,30,31);3-10,13,16-18,31H,11-12,14-15H2,1-2H3,(H2,29,30);3-4,6-7,11,15-17,28H,5,8-10,12-14H2,1-2H3,(H2,26,27)
• InChIKey: BJUJOKLGDRGSHW-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 286.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1418.77
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?

The IUPAC name of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone (CID 157371302) is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone.

What is the SMILES notation for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?

The canonical SMILES for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)CCCC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.CN(C)c1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.

What is the InChIKey of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?

The InChIKey is BJUJOKLGDRGSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O.C28H29N7O.C25H31N7O/c1-34(2)22-9-7-19(8-10-22)17-25(37)35-14-11-20(12-15-35)29-33-26(27-28(30)31-13-16-36(27)29)24-18-21-5-3-4-6-23(21)32-24;1-33(2)21-9-7-19(8-10-21)28(36)34-14-11-18(12-15-34)27-32-24(25-26(29)30-13-16-35(25)27)23-17-20-5-3-4-6-22(20)31-23;1-30(2)12-5-8-21(33)31-13-9-17(10-14-31)25-29-22(23-24(26)27-11-15-32(23)25)20-16-18-6-3-4-7-19(18)28-20/h3-10,13,16,18,20,32H,11-12,14-15,17H2,1-2H3,(H2,30,31);3-10,13,16-18,31H,11-12,14-15H2,1-2H3,(H2,29,30);3-4,6-7,11,15-17,28H,5,8-10,12-14H2,1-2H3,(H2,26,27).

What are the key properties of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone?

1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 1418.77 g/mol, XLogP of 12.53, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 157371302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).