4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione

C15H11ClF3N5O2 — CID 1470905

IUPAC4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cccnc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O
InChIInChI=1S/C15H11ClF3N5O2/c16-9-6-8(15(17,18)19)7-22-11(9)20-4-5-24-12-10(2-1-3-21-12)23-13(25)14(24)26/h1-3,6-7H,4-5H2,(H,20,22)(H,23,25)
InChIKeyHKXFDXRLJOPDDW-UHFFFAOYSA-N
MW385.73 g/mol
LogP2.26
Rot. Bonds4

About 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione

4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 1470905) has the molecular formula C15H11ClF3N5O2 and a molecular weight of 385.73 g/mol. Its IUPAC name is 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID1470905
Molecular FormulaC15H11ClF3N5O2
Molecular Weight385.73 g/mol
Exact Mass385.06
IUPAC Name4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cccnc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O
InChIInChI=1S/C15H11ClF3N5O2/c16-9-6-8(15(17,18)19)7-22-11(9)20-4-5-24-12-10(2-1-3-21-12)23-13(25)14(24)26/h1-3,6-7H,4-5H2,(H,20,22)(H,23,25)
InChIKeyHKXFDXRLJOPDDW-UHFFFAOYSA-N
XLogP2.26
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.73
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 1470905) is 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cccnc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O.
What is the InChIKey of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is HKXFDXRLJOPDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O2/c16-9-6-8(15(17,18)19)7-22-11(9)20-4-5-24-12-10(2-1-3-21-12)23-13(25)14(24)26/h1-3,6-7H,4-5H2,(H,20,22)(H,23,25).
What are the key properties of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione?
4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 385.73 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 1470905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).