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

C26H24F3N5O3 — CID 171776866

IUPAC5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(C2=CCN(Cc3ccc4c([nH]c(=O)c5c(F)ccn54)c3F)CC2)c(F)n1
InChIInChI=1S/C26H24F3N5O3/c1-37-13-9-30-25(35)19-4-3-17(24(29)31-19)15-6-10-33(11-7-15)14-16-2-5-20-22(21(16)28)32-26(36)23-18(27)8-12-34(20)23/h2-6,8,12H,7,9-11,13-14H2,1H3,(H,30,35)(H,32,36)
InChIKeyRZXRXOHQZZOPET-UHFFFAOYSA-N
MW511.50 g/mol
LogP3.26
Rot. Bonds7

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

5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 171776866) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID171776866
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(C2=CCN(Cc3ccc4c([nH]c(=O)c5c(F)ccn54)c3F)CC2)c(F)n1
InChIInChI=1S/C26H24F3N5O3/c1-37-13-9-30-25(35)19-4-3-17(24(29)31-19)15-6-10-33(11-7-15)14-16-2-5-20-22(21(16)28)32-26(36)23-18(27)8-12-34(20)23/h2-6,8,12H,7,9-11,13-14H2,1H3,(H,30,35)(H,32,36)
InChIKeyRZXRXOHQZZOPET-UHFFFAOYSA-N
XLogP3.26
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 171776866) is 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1ccc(C2=CCN(Cc3ccc4c([nH]c(=O)c5c(F)ccn54)c3F)CC2)c(F)n1.
What is the InChIKey of 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is RZXRXOHQZZOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-37-13-9-30-25(35)19-4-3-17(24(29)31-19)15-6-10-33(11-7-15)14-16-2-5-20-22(21(16)28)32-26(36)23-18(27)8-12-34(20)23/h2-6,8,12H,7,9-11,13-14H2,1H3,(H,30,35)(H,32,36).
What are the key properties of 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide?
5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 171776866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).