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

C24H41N3O2 — CID 143580211

IUPACethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol
SMILESCC.CC.COc1nc(C(C)C)ccc1-c1nc(C)c(CC(C)CCO)nc1C
InChIInChI=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
InChIKeyLHVUMQQBGOKNJT-UHFFFAOYSA-N
MW403.61 g/mol
LogP5.90
Rot. Bonds7

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 Nameethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol
PubChem CID143580211
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Nameethane;4-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-3-methylbutan-1-ol
SMILESCC.CC.COc1nc(C(C)C)ccc1-c1nc(C)c(CC(C)CCO)nc1C
InChIInChI=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
InChIKeyLHVUMQQBGOKNJT-UHFFFAOYSA-N
XLogP5.90
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).