5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile

C51H51N11O3 — CID 139570783

About 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile

5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile (PubChem CID 139570783) has the molecular formula C51H51N11O3 and a molecular weight of 866.04 g/mol. Its IUPAC name is 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile
• PubChem CID: 139570783
• Molecular Formula: C51H51N11O3
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.42
• IUPAC Name: 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile
• SMILES: Cc1c(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5CC4COCCC4c4cc5cccc(-c6nc(C7CC7)n7c6CN(C)C(=O)C7C)c5cn4)c3cc2C#N)cnn1C
• InChI: InChI=1S/C51H51N11O3/c1-27-38(23-54-60(27)5)45-32(21-52)18-37-35(10-7-11-40(37)55-45)46-44-25-59(4)51(64)42(62(44)49(57-46)30-14-15-30)20-33-26-65-17-16-34(33)41-19-31-8-6-9-36(39(31)22-53-41)47-43-24-58(3)50(63)28(2)61(43)48(56-47)29-12-13-29/h6-11,18-19,22-23,28-30,33-34,42H,12-17,20,24-26H2,1-5H3
• InChIKey: SDSNWNIBHOPBPF-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 152.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	866.04
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile?

The IUPAC name of 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile (CID 139570783) is 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile.

What is the SMILES notation for 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile?

The canonical SMILES for 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile is Cc1c(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5CC4COCCC4c4cc5cccc(-c6nc(C7CC7)n7c6CN(C)C(=O)C7C)c5cn4)c3cc2C#N)cnn1C.

What is the InChIKey of 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile?

The InChIKey is SDSNWNIBHOPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N11O3/c1-27-38(23-54-60(27)5)45-32(21-52)18-37-35(10-7-11-40(37)55-45)46-44-25-59(4)51(64)42(62(44)49(57-46)30-14-15-30)20-33-26-65-17-16-34(33)41-19-31-8-6-9-36(39(31)22-53-41)47-43-24-58(3)50(63)28(2)61(43)48(56-47)29-12-13-29/h6-11,18-19,22-23,28-30,33-34,42H,12-17,20,24-26H2,1-5H3.

What are the key properties of 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile?

5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile has a molecular weight of 866.04 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-cyclopropyl-5-[[4-[8-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)isoquinolin-3-yl]oxan-3-yl]methyl]-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 139570783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).