N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide

C17H14F4N4O2 — CID 167867172

IUPACN-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NCC(F)(F)c3ccc(F)cc3F)cnc21
InChIInChI=1S/C17H14F4N4O2/c1-25-7-14(26)24-13-4-9(6-22-15(13)25)16(27)23-8-17(20,21)11-3-2-10(18)5-12(11)19/h2-6H,7-8H2,1H3,(H,23,27)(H,24,26)
InChIKeyHEIAWICATWHOPS-UHFFFAOYSA-N
MW382.32 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide

N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide (PubChem CID 167867172) has the molecular formula C17H14F4N4O2 and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide
PubChem CID167867172
Molecular FormulaC17H14F4N4O2
Molecular Weight382.32 g/mol
Exact Mass382.11
IUPAC NameN-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NCC(F)(F)c3ccc(F)cc3F)cnc21
InChIInChI=1S/C17H14F4N4O2/c1-25-7-14(26)24-13-4-9(6-22-15(13)25)16(27)23-8-17(20,21)11-3-2-10(18)5-12(11)19/h2-6H,7-8H2,1H3,(H,23,27)(H,24,26)
InChIKeyHEIAWICATWHOPS-UHFFFAOYSA-N
XLogP2.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide (CID 167867172) is N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide is CN1CC(=O)Nc2cc(C(=O)NCC(F)(F)c3ccc(F)cc3F)cnc21.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HEIAWICATWHOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2/c1-25-7-14(26)24-13-4-9(6-22-15(13)25)16(27)23-8-17(20,21)11-3-2-10(18)5-12(11)19/h2-6H,7-8H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide?
N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]-4-methyl-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 167867172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).