6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one

C22H20FN5O3S — CID 143411034

IUPAC6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCS(=O)(=O)CCNc1nc2ccc(-c3ccc(F)cc3)nc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C22H20FN5O3S/c1-32(30,31)13-12-25-20-22(29)28(14-17-4-2-3-11-24-17)21-19(26-20)10-9-18(27-21)15-5-7-16(23)8-6-15/h2-11H,12-14H2,1H3,(H,25,26)
InChIKeyZCKPPHUDEGEOQG-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.50
Rot. Bonds7

About 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one

6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 143411034) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID143411034
Molecular FormulaC22H20FN5O3S
Molecular Weight453.50 g/mol
Exact Mass453.13
IUPAC Name6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCS(=O)(=O)CCNc1nc2ccc(-c3ccc(F)cc3)nc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C22H20FN5O3S/c1-32(30,31)13-12-25-20-22(29)28(14-17-4-2-3-11-24-17)21-19(26-20)10-9-18(27-21)15-5-7-16(23)8-6-15/h2-11H,12-14H2,1H3,(H,25,26)
InChIKeyZCKPPHUDEGEOQG-UHFFFAOYSA-N
XLogP2.50
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one (CID 143411034) is 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one is CS(=O)(=O)CCNc1nc2ccc(-c3ccc(F)cc3)nc2n(Cc2ccccn2)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZCKPPHUDEGEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-32(30,31)13-12-25-20-22(29)28(14-17-4-2-3-11-24-17)21-19(26-20)10-9-18(27-21)15-5-7-16(23)8-6-15/h2-11H,12-14H2,1H3,(H,25,26).
What are the key properties of 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 453.50 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(2-methylsulfonylethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 143411034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).