N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C19H19F3N4O4 — CID 134332172

IUPACN-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCOc1cnc2c(c1)NC(=O)CN2C(=O)NC(CO)c1ccc(C(F)(F)CF)cc1
InChIInChI=1S/C19H19F3N4O4/c1-30-13-6-14-17(23-7-13)26(8-16(28)24-14)18(29)25-15(9-27)11-2-4-12(5-3-11)19(21,22)10-20/h2-7,15,27H,8-10H2,1H3,(H,24,28)(H,25,29)
InChIKeyFHPCPTDLYBCFSD-UHFFFAOYSA-N
MW424.38 g/mol
LogP2.35
Rot. Bonds6

About N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 134332172) has the molecular formula C19H19F3N4O4 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID134332172
Molecular FormulaC19H19F3N4O4
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC NameN-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCOc1cnc2c(c1)NC(=O)CN2C(=O)NC(CO)c1ccc(C(F)(F)CF)cc1
InChIInChI=1S/C19H19F3N4O4/c1-30-13-6-14-17(23-7-13)26(8-16(28)24-14)18(29)25-15(9-27)11-2-4-12(5-3-11)19(21,22)10-20/h2-7,15,27H,8-10H2,1H3,(H,24,28)(H,25,29)
InChIKeyFHPCPTDLYBCFSD-UHFFFAOYSA-N
XLogP2.35
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 134332172) is N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is COc1cnc2c(c1)NC(=O)CN2C(=O)NC(CO)c1ccc(C(F)(F)CF)cc1.
What is the InChIKey of N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is FHPCPTDLYBCFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4/c1-30-13-6-14-17(23-7-13)26(8-16(28)24-14)18(29)25-15(9-27)11-2-4-12(5-3-11)19(21,22)10-20/h2-7,15,27H,8-10H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[4-(1,1,2-trifluoroethyl)phenyl]ethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 134332172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).