1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone

C35H39N5O4 — CID 160751809

About 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone

1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone (PubChem CID 160751809) has the molecular formula C35H39N5O4 and a molecular weight of 593.73 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
• PubChem CID: 160751809
• Molecular Formula: C35H39N5O4
• Molecular Weight: 593.73 g/mol
• Exact Mass: 593.30
• IUPAC Name: 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
• SMILES: COc1cc(-c2nc([C@H]3CCN(C4CCOCC4)C3)n3ccnc(C)c23)ccc1CC(=O)c1cc2c(OC)cccc2n1C
• InChI: InChI=1S/C35H39N5O4/c1-22-34-33(37-35(40(34)15-13-36-22)25-10-14-39(21-25)26-11-16-44-17-12-26)24-9-8-23(32(19-24)43-4)18-30(41)29-20-27-28(38(29)2)6-5-7-31(27)42-3/h5-9,13,15,19-20,25-26H,10-12,14,16-18,21H2,1-4H3/t25-/m0/s1
• InChIKey: RWXPTHCVDQVUJJ-VWLOTQADSA-N
• XLogP: 5.61
• TPSA: 83.12 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.73
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

The IUPAC name of 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone (CID 160751809) is 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone.

What is the SMILES notation for 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

The canonical SMILES for 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone is COc1cc(-c2nc([C@H]3CCN(C4CCOCC4)C3)n3ccnc(C)c23)ccc1CC(=O)c1cc2c(OC)cccc2n1C.

What is the InChIKey of 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

The InChIKey is RWXPTHCVDQVUJJ-VWLOTQADSA-N. The full InChI is InChI=1S/C35H39N5O4/c1-22-34-33(37-35(40(34)15-13-36-22)25-10-14-39(21-25)26-11-16-44-17-12-26)24-9-8-23(32(19-24)43-4)18-30(41)29-20-27-28(38(29)2)6-5-7-31(27)42-3/h5-9,13,15,19-20,25-26H,10-12,14,16-18,21H2,1-4H3/t25-/m0/s1.

What are the key properties of 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone?

1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone has a molecular weight of 593.73 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 160751809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).