5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide

C25H23F2N5O3 — CID 171776783

IUPAC5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5c(F)ccn5c4cc3OC)CC2F)cn1
InChIInChI=1S/C25H23F2N5O3/c1-28-24(33)19-4-3-14(11-29-19)16-5-7-31(13-18(16)27)12-15-9-20-21(10-22(15)35-2)32-8-6-17(26)23(32)25(34)30-20/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyDHJZJPOIFIYBPT-UHFFFAOYSA-N
MW479.49 g/mol
LogP2.92
Rot. Bonds5

About 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide

5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171776783) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID171776783
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5c(F)ccn5c4cc3OC)CC2F)cn1
InChIInChI=1S/C25H23F2N5O3/c1-28-24(33)19-4-3-14(11-29-19)16-5-7-31(13-18(16)27)12-15-9-20-21(10-22(15)35-2)32-8-6-17(26)23(32)25(34)30-20/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyDHJZJPOIFIYBPT-UHFFFAOYSA-N
XLogP2.92
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide (CID 171776783) is 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5c(F)ccn5c4cc3OC)CC2F)cn1.
What is the InChIKey of 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is DHJZJPOIFIYBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-28-24(33)19-4-3-14(11-29-19)16-5-7-31(13-18(16)27)12-15-9-20-21(10-22(15)35-2)32-8-6-17(26)23(32)25(34)30-20/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,28,33)(H,30,34).
What are the key properties of 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide?
5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-1-[(3-fluoro-8-methoxy-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171776783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).