5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine

C22H20FN5O — CID 90329757

IUPAC5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine
SMILESCOCCn1cc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1
InChIInChI=1S/C22H20FN5O/c1-29-9-8-28-14-16(11-27-28)18-5-3-2-4-17(18)15-6-7-19(20(23)10-15)21-12-26-22(24)13-25-21/h2-7,10-14H,8-9H2,1H3,(H2,24,26)
InChIKeyDSUSXPGGWJKDHL-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.04
Rot. Bonds6

About 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine (PubChem CID 90329757) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine
PubChem CID90329757
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine
SMILESCOCCn1cc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1
InChIInChI=1S/C22H20FN5O/c1-29-9-8-28-14-16(11-27-28)18-5-3-2-4-17(18)15-6-7-19(20(23)10-15)21-12-26-22(24)13-25-21/h2-7,10-14H,8-9H2,1H3,(H2,24,26)
InChIKeyDSUSXPGGWJKDHL-UHFFFAOYSA-N
XLogP4.04
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine (CID 90329757) is 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine is COCCn1cc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine?
The InChIKey is DSUSXPGGWJKDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-29-9-8-28-14-16(11-27-28)18-5-3-2-4-17(18)15-6-7-19(20(23)10-15)21-12-26-22(24)13-25-21/h2-7,10-14H,8-9H2,1H3,(H2,24,26).
What are the key properties of 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine has a molecular weight of 389.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 90329757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).