[6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

C27H32N6O3 — CID 170020169

About [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone

[6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 170020169) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

• Compound Name: [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
• PubChem CID: 170020169
• Molecular Formula: C27H32N6O3
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.25
• IUPAC Name: [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
• SMILES: Cc1c[nH]c2ncc(-c3cc4c(c(C5COCCN5)c3)CN(C(=O)N3C5CCC3COC5)CC4)nc12
• InChI: InChI=1S/C27H32N6O3/c1-16-10-29-26-25(16)31-23(11-30-26)18-8-17-4-6-32(27(34)33-19-2-3-20(33)14-36-13-19)12-22(17)21(9-18)24-15-35-7-5-28-24/h8-11,19-20,24,28H,2-7,12-15H2,1H3,(H,29,30)
• InChIKey: GEYFZSJAMUQLQG-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The IUPAC name of [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 170020169) is [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone.

What is the SMILES notation for [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The canonical SMILES for [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is Cc1c[nH]c2ncc(-c3cc4c(c(C5COCCN5)c3)CN(C(=O)N3C5CCC3COC5)CC4)nc12.

What is the InChIKey of [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The InChIKey is GEYFZSJAMUQLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-16-10-29-26-25(16)31-23(11-30-26)18-8-17-4-6-32(27(34)33-19-2-3-20(33)14-36-13-19)12-22(17)21(9-18)24-15-35-7-5-28-24/h8-11,19-20,24,28H,2-7,12-15H2,1H3,(H,29,30).

What are the key properties of [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone?

[6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 488.59 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)-8-morpholin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 170020169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).