1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

C78H83Cl6N17O4 — CID 157311005

About 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine

1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 157311005) has the molecular formula C78H83Cl6N17O4 and a molecular weight of 1535.35 g/mol. Its IUPAC name is 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 157311005
• Molecular Formula: C78H83Cl6N17O4
• Molecular Weight: 1535.35 g/mol
• Exact Mass: 1531.49
• IUPAC Name: 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: C=C(O)c1ccc(-c2c(C)c(Cl)cc([C@H](C)c3nc(Cl)c4c(N)nccn34)c2OCC)cn1.C=C(c1ccc(-c2c(C)c(Cl)cc([C@H](C)c3nc(Cl)c4c(N)nccn34)c2OCC)cn1)N(C)C.C=C(c1ccc(-c2c(C)c(Cl)cc([C@H](C)c3nc(Cl)c4c(N)nccn34)c2OCC)cn1)N(CC)CC
• InChI: InChI=1S/C28H32Cl2N6O.C26H28Cl2N6O.C24H23Cl2N5O2/c1-7-35(8-2)18(6)22-11-10-19(15-33-22)23-17(5)21(29)14-20(25(23)37-9-3)16(4)28-34-26(30)24-27(31)32-12-13-36(24)28;1-7-35-23-18(14(2)26-32-24(28)22-25(29)30-10-11-34(22)26)12-19(27)15(3)21(23)17-8-9-20(31-13-17)16(4)33(5)6;1-5-33-21-16(12(2)24-30-22(26)20-23(27)28-8-9-31(20)24)10-17(25)13(3)19(21)15-6-7-18(14(4)32)29-11-15/h10-16H,6-9H2,1-5H3,(H2,31,32);8-14H,4,7H2,1-3,5-6H3,(H2,29,30);6-12,32H,4-5H2,1-3H3,(H2,27,28)/t16-;14-;12-/m000/s1
• InChIKey: BDAQXHZNCJPUQM-NDPGSJHKSA-N
• XLogP: 18.99
• TPSA: 261.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.35
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine (CID 157311005) is 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is C=C(O)c1ccc(-c2c(C)c(Cl)cc([C@H](C)c3nc(Cl)c4c(N)nccn34)c2OCC)cn1.C=C(c1ccc(-c2c(C)c(Cl)cc([C@H](C)c3nc(Cl)c4c(N)nccn34)c2OCC)cn1)N(C)C.C=C(c1ccc(-c2c(C)c(Cl)cc([C@H](C)c3nc(Cl)c4c(N)nccn34)c2OCC)cn1)N(CC)CC.

What is the InChIKey of 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is BDAQXHZNCJPUQM-NDPGSJHKSA-N. The full InChI is InChI=1S/C28H32Cl2N6O.C26H28Cl2N6O.C24H23Cl2N5O2/c1-7-35(8-2)18(6)22-11-10-19(15-33-22)23-17(5)21(29)14-20(25(23)37-9-3)16(4)28-34-26(30)24-27(31)32-12-13-36(24)28;1-7-35-23-18(14(2)26-32-24(28)22-25(29)30-10-11-34(22)26)12-19(27)15(3)21(23)17-8-9-20(31-13-17)16(4)33(5)6;1-5-33-21-16(12(2)24-30-22(26)20-23(27)28-8-9-31(20)24)10-17(25)13(3)19(21)15-6-7-18(14(4)32)29-11-15/h10-16H,6-9H2,1-5H3,(H2,31,32);8-14H,4,7H2,1-3,5-6H3,(H2,29,30);6-12,32H,4-5H2,1-3H3,(H2,27,28)/t16-;14-;12-/m000/s1.

What are the key properties of 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine?

1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1535.35 g/mol, XLogP of 18.99, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 157311005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).