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

C23H18FN5O — CID 171776849

IUPAC6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2=CCN(Cc3ccc4c(c3)[nH]c(=O)c3cc(F)cn34)CC2)nc1
InChIInChI=1S/C23H18FN5O/c24-18-10-22-23(30)27-20-9-15(2-4-21(20)29(22)14-18)13-28-7-5-17(6-8-28)19-3-1-16(11-25)12-26-19/h1-5,9-10,12,14H,6-8,13H2,(H,27,30)
InChIKeyGBUZWNUGBSDFBS-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.48
Rot. Bonds3

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

6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile (PubChem CID 171776849) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile
PubChem CID171776849
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2=CCN(Cc3ccc4c(c3)[nH]c(=O)c3cc(F)cn34)CC2)nc1
InChIInChI=1S/C23H18FN5O/c24-18-10-22-23(30)27-20-9-15(2-4-21(20)29(22)14-18)13-28-7-5-17(6-8-28)19-3-1-16(11-25)12-26-19/h1-5,9-10,12,14H,6-8,13H2,(H,27,30)
InChIKeyGBUZWNUGBSDFBS-UHFFFAOYSA-N
XLogP3.48
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
6-fluoro-N-methyl-5-[1-[(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
CID 171776710
6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 178182098
6-[4-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile;molecular hydrogen
CID 168995309
6-[4-[(7-methyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856773
3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 169228402
6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856729
4-[4-[(7-ethenyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 170179492
3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5H-phenanthridin-6-one
CID 10151320
6-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile;molecular hydrogen
CID 168995312
3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5H-phenanthridin-6-one;hydrochloride
CID 10151319

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile (CID 171776849) is 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile is N#Cc1ccc(C2=CCN(Cc3ccc4c(c3)[nH]c(=O)c3cc(F)cn34)CC2)nc1.
What is the InChIKey of 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile?
The InChIKey is GBUZWNUGBSDFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-18-10-22-23(30)27-20-9-15(2-4-21(20)29(22)14-18)13-28-7-5-17(6-8-28)19-3-1-16(11-25)12-26-19/h1-5,9-10,12,14H,6-8,13H2,(H,27,30).
What are the key properties of 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile?
6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile has a molecular weight of 399.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-fluoro-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171776849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).