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

C24H21F2N5O2 — CID 171776882

IUPAC5-[1-[(3,6-difluoro-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(Cc3ccc4c([nH]c(=O)c5c(F)ccn54)c3F)CC2)cn1
InChIInChI=1S/C24H21F2N5O2/c1-27-23(32)18-4-2-15(12-28-18)14-6-9-30(10-7-14)13-16-3-5-19-21(20(16)26)29-24(33)22-17(25)8-11-31(19)22/h2-6,8,11-12H,7,9-10,13H2,1H3,(H,27,32)(H,29,33)
InChIKeyOHTUPFRNQKQFMP-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.10
Rot. Bonds4

About 5-[1-[(3,6-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide (PubChem CID 171776882) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide
PubChem CID171776882
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name5-[1-[(3,6-difluoro-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(Cc3ccc4c([nH]c(=O)c5c(F)ccn54)c3F)CC2)cn1
InChIInChI=1S/C24H21F2N5O2/c1-27-23(32)18-4-2-15(12-28-18)14-6-9-30(10-7-14)13-16-3-5-19-21(20(16)26)29-24(33)22-17(25)8-11-31(19)22/h2-6,8,11-12H,7,9-10,13H2,1H3,(H,27,32)(H,29,33)
InChIKeyOHTUPFRNQKQFMP-UHFFFAOYSA-N
XLogP3.10
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-[1-[(2,8-difluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
CID 171776718
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
5-[1-[(3-chloro-8-methoxy-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
CID 171776819
5-[1-[(3-chloro-9-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-methylpyridine-2-carboxamide
CID 171776784
7-[[4-(1,5-dimethylimidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-fluoro-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 171776862
8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one
CID 175951266
5-[4-[(6-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560083
3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 169228462
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 172560216
5-[(2R)-2-(cyanomethyl)-4-[(6-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 175596547

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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide (CID 171776882) is 5-[1-[(3,6-difluoro-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-[1-[(3,6-difluoro-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-[1-[(3,6-difluoro-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(Cc3ccc4c([nH]c(=O)c5c(F)ccn54)c3F)CC2)cn1.
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]-N-methylpyridine-2-carboxamide?
The InChIKey is OHTUPFRNQKQFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-27-23(32)18-4-2-15(12-28-18)14-6-9-30(10-7-14)13-16-3-5-19-21(20(16)26)29-24(33)22-17(25)8-11-31(19)22/h2-6,8,11-12H,7,9-10,13H2,1H3,(H,27,32)(H,29,33).
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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171776882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).