7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C31H32FN7O4 — CID 159893658

IUPAC7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4c(c3)NC(=O)CN4)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C31H32FN7O4/c1-19-26(15-24(40)12-22-18-38(10-11-42-2)43-30(22)20-8-9-33-27(32)14-20)39(23-6-4-3-5-7-23)37-29(19)21-13-25-31(34-16-21)35-17-28(41)36-25/h3-9,13-14,16,22,30H,10-12,15,17-18H2,1-2H3,(H,34,35)(H,36,41)/t22-,30+/m1/s1
InChIKeyNVBMUQNHGFGVCK-RCRUUEGKSA-N
MW585.64 g/mol
LogP3.89
Rot. Bonds10

About 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 159893658) has the molecular formula C31H32FN7O4 and a molecular weight of 585.64 g/mol. Its IUPAC name is 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID159893658
Molecular FormulaC31H32FN7O4
Molecular Weight585.64 g/mol
Exact Mass585.25
IUPAC Name7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4c(c3)NC(=O)CN4)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C31H32FN7O4/c1-19-26(15-24(40)12-22-18-38(10-11-42-2)43-30(22)20-8-9-33-27(32)14-20)39(23-6-4-3-5-7-23)37-29(19)21-13-25-31(34-16-21)35-17-28(41)36-25/h3-9,13-14,16,22,30H,10-12,15,17-18H2,1-2H3,(H,34,35)(H,36,41)/t22-,30+/m1/s1
InChIKeyNVBMUQNHGFGVCK-RCRUUEGKSA-N
XLogP3.89
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.64
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 159893658) is 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4c(c3)NC(=O)CN4)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is NVBMUQNHGFGVCK-RCRUUEGKSA-N. The full InChI is InChI=1S/C31H32FN7O4/c1-19-26(15-24(40)12-22-18-38(10-11-42-2)43-30(22)20-8-9-33-27(32)14-20)39(23-6-4-3-5-7-23)37-29(19)21-13-25-31(34-16-21)35-17-28(41)36-25/h3-9,13-14,16,22,30H,10-12,15,17-18H2,1-2H3,(H,34,35)(H,36,41)/t22-,30+/m1/s1.
What are the key properties of 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 585.64 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 159893658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).