6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane

C37H46N10O — CID 159527542

About 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane

6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane (PubChem CID 159527542) has the molecular formula C37H46N10O and a molecular weight of 646.84 g/mol. Its IUPAC name is 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane.

Molecular Properties

• Compound Name: 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane
• PubChem CID: 159527542
• Molecular Formula: C37H46N10O
• Molecular Weight: 646.84 g/mol
• Exact Mass: 646.39
• IUPAC Name: 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane
• SMILES: C.CCO.Cc1ccc(C)n1-c1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.Nc1cccc(-c2cnc(N3CC4CC4C3)cn2)n1
• InChI: InChI=1S/C20H21N5.C14H15N5.C2H6O.CH4/c1-13-6-7-14(2)25(13)19-5-3-4-17(23-19)18-9-22-20(10-21-18)24-11-15-8-16(15)12-24;15-13-3-1-2-11(18-13)12-5-17-14(6-16-12)19-7-9-4-10(9)8-19;1-2-3;/h3-7,9-10,15-16H,8,11-12H2,1-2H3;1-3,5-6,9-10H,4,7-8H2,(H2,15,18);3H,2H2,1H3;1H4
• InChIKey: MCONDOKPOCTWDP-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 135.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	646.84
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane?

The IUPAC name of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane (CID 159527542) is 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane.

What is the SMILES notation for 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane?

The canonical SMILES for 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane is C.CCO.Cc1ccc(C)n1-c1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.Nc1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.

What is the InChIKey of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane?

The InChIKey is MCONDOKPOCTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.C14H15N5.C2H6O.CH4/c1-13-6-7-14(2)25(13)19-5-3-4-17(23-19)18-9-22-20(10-21-18)24-11-15-8-16(15)12-24;15-13-3-1-2-11(18-13)12-5-17-14(6-16-12)19-7-9-4-10(9)8-19;1-2-3;/h3-7,9-10,15-16H,8,11-12H2,1-2H3;1-3,5-6,9-10H,4,7-8H2,(H2,15,18);3H,2H2,1H3;1H4.

What are the key properties of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane?

6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane has a molecular weight of 646.84 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol;methane is sourced from PubChem (CID 159527542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).