5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine

C18H19F2N5O3 — CID 139421107

IUPAC5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine
SMILESCCn1cc(Nc2cnc(OCc3c(F)c(OC)cc(OC)c3F)cn2)cn1
InChIInChI=1S/C18H19F2N5O3/c1-4-25-9-11(6-23-25)24-15-7-22-16(8-21-15)28-10-12-17(19)13(26-2)5-14(27-3)18(12)20/h5-9H,4,10H2,1-3H3,(H,21,24)
InChIKeyMSWXECCSICYWHU-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.31
Rot. Bonds8

About 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine

5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 139421107) has the molecular formula C18H19F2N5O3 and a molecular weight of 391.38 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine
PubChem CID139421107
Molecular FormulaC18H19F2N5O3
Molecular Weight391.38 g/mol
Exact Mass391.15
IUPAC Name5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine
SMILESCCn1cc(Nc2cnc(OCc3c(F)c(OC)cc(OC)c3F)cn2)cn1
InChIInChI=1S/C18H19F2N5O3/c1-4-25-9-11(6-23-25)24-15-7-22-16(8-21-15)28-10-12-17(19)13(26-2)5-14(27-3)18(12)20/h5-9H,4,10H2,1-3H3,(H,21,24)
InChIKeyMSWXECCSICYWHU-UHFFFAOYSA-N
XLogP3.31
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine (CID 139421107) is 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine is CCn1cc(Nc2cnc(OCc3c(F)c(OC)cc(OC)c3F)cn2)cn1.
What is the InChIKey of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is MSWXECCSICYWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O3/c1-4-25-9-11(6-23-25)24-15-7-22-16(8-21-15)28-10-12-17(19)13(26-2)5-14(27-3)18(12)20/h5-9H,4,10H2,1-3H3,(H,21,24).
What are the key properties of 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine?
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 391.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(1-ethylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 139421107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).