ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol

C24H41N3O2 — CID 143580211

About ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol

ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol (PubChem CID 143580211) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol.

Molecular Properties

• Compound Name: ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol
• PubChem CID: 143580211
• Molecular Formula: C24H41N3O2
• Molecular Weight: 403.61 g/mol
• Exact Mass: 403.32
• IUPAC Name: ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol
• SMILES: CC.CC.COc1nc(C(C)C)ccc1-c1nc(C)c(CC(C)CCO)nc1C
• InChI: InChI=1S/C20H29N3O2.2C2H6/c1-12(2)17-8-7-16(20(23-17)25-6)19-15(5)21-18(14(4)22-19)11-13(3)9-10-24;2*1-2/h7-8,12-13,24H,9-11H2,1-6H3;2*1-2H3
• InChIKey: LHVUMQQBGOKNJT-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 68.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.61
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol?

The IUPAC name of ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol (CID 143580211) is ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol.

What is the SMILES notation for ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol?

The canonical SMILES for ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol is CC.CC.COc1nc(C(C)C)ccc1-c1nc(C)c(CC(C)CCO)nc1C.

What is the InChIKey of ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol?

The InChIKey is LHVUMQQBGOKNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.2C2H6/c1-12(2)17-8-7-16(20(23-17)25-6)19-15(5)21-18(14(4)22-19)11-13(3)9-10-24;2*1-2/h7-8,12-13,24H,9-11H2,1-6H3;2*1-2H3.

What are the key properties of ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol?

ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol has a molecular weight of 403.61 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 143580211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).