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

C16H17F3N4O2 — CID 45268771

IUPAC1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
SMILESCOc1ccc(Nc2nccn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O2/c1-9(10-3-4-10)23-8-7-20-14(15(23)24)21-11-5-6-12(25-2)22-13(11)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,21)/t9-/m1/s1
InChIKeyOWMQCDOIWCGTGY-SECBINFHSA-N
MW354.33 g/mol
LogP3.38
Rot. Bonds5

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

1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 45268771) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
PubChem CID45268771
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one
SMILESCOc1ccc(Nc2nccn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O2/c1-9(10-3-4-10)23-8-7-20-14(15(23)24)21-11-5-6-12(25-2)22-13(11)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,21)/t9-/m1/s1
InChIKeyOWMQCDOIWCGTGY-SECBINFHSA-N
XLogP3.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.38
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]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one (CID 45268771) is 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one is COc1ccc(Nc2nccn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1.
What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is OWMQCDOIWCGTGY-SECBINFHSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-9(10-3-4-10)23-8-7-20-14(15(23)24)21-11-5-6-12(25-2)22-13(11)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,21)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one?
1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 354.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylethyl]-3-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 45268771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).