1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one

C18H19F3N4O2 — CID 45272175

IUPAC1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
SMILESC=Cc1cn([C@H](C)C2CC2)c(=O)c(Nc2ccc(OC)nc2C(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O2/c1-4-12-9-25(10(2)11-5-6-11)17(26)16(22-12)23-13-7-8-14(27-3)24-15(13)18(19,20)21/h4,7-11H,1,5-6H2,2-3H3,(H,22,23)/t10-/m1/s1
InChIKeyJMQYLHGZQVTSCA-SNVBAGLBSA-N
MW380.37 g/mol
LogP4.02
Rot. Bonds6

About 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one

1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 45272175) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
PubChem CID45272175
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
SMILESC=Cc1cn([C@H](C)C2CC2)c(=O)c(Nc2ccc(OC)nc2C(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O2/c1-4-12-9-25(10(2)11-5-6-11)17(26)16(22-12)23-13-7-8-14(27-3)24-15(13)18(19,20)21/h4,7-11H,1,5-6H2,2-3H3,(H,22,23)/t10-/m1/s1
InChIKeyJMQYLHGZQVTSCA-SNVBAGLBSA-N
XLogP4.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one (CID 45272175) is 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one is C=Cc1cn([C@H](C)C2CC2)c(=O)c(Nc2ccc(OC)nc2C(F)(F)F)n1.
What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is JMQYLHGZQVTSCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-4-12-9-25(10(2)11-5-6-11)17(26)16(22-12)23-13-7-8-14(27-3)24-15(13)18(19,20)21/h4,7-11H,1,5-6H2,2-3H3,(H,22,23)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 380.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylethyl]-5-ethenyl-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 45272175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).