5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

C18H21BrF2N4O3 — CID 67102289

IUPAC5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCOC(Cn1cc(Br)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O)C1CC1
InChIInChI=1S/C18H21BrF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(8-14(19)24-15)7-13(27-3)11-4-5-11/h6,8,11,13,18H,4-5,7H2,1-3H3,(H,23,24)
InChIKeyASJAOALZXWSCHC-UHFFFAOYSA-N
MW459.29 g/mol
LogP3.79
Rot. Bonds8

About 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 67102289) has the molecular formula C18H21BrF2N4O3 and a molecular weight of 459.29 g/mol. Its IUPAC name is 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
PubChem CID67102289
Molecular FormulaC18H21BrF2N4O3
Molecular Weight459.29 g/mol
Exact Mass458.08
IUPAC Name5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCOC(Cn1cc(Br)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O)C1CC1
InChIInChI=1S/C18H21BrF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(8-14(19)24-15)7-13(27-3)11-4-5-11/h6,8,11,13,18H,4-5,7H2,1-3H3,(H,23,24)
InChIKeyASJAOALZXWSCHC-UHFFFAOYSA-N
XLogP3.79
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (CID 67102289) is 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is COC(Cn1cc(Br)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O)C1CC1.
What is the InChIKey of 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is ASJAOALZXWSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(8-14(19)24-15)7-13(27-3)11-4-5-11/h6,8,11,13,18H,4-5,7H2,1-3H3,(H,23,24).
What are the key properties of 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 459.29 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 67102289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).