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

C24H21F2N5O2 — CID 171776718

IUPAC5-[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
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5cc(F)cn5c4cc3F)CC2)cn1
InChIInChI=1S/C24H21F2N5O2/c1-27-23(32)19-3-2-15(11-28-19)14-4-6-30(7-5-14)12-16-8-20-21(10-18(16)26)31-13-17(25)9-22(31)24(33)29-20/h2-4,8-11,13H,5-7,12H2,1H3,(H,27,32)(H,29,33)
InChIKeyIXQWPOUOQWOHQS-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.10
Rot. Bonds4

About 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

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 (PubChem CID 171776718) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID171776718
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name5-[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
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5cc(F)cn5c4cc3F)CC2)cn1
InChIInChI=1S/C24H21F2N5O2/c1-27-23(32)19-3-2-15(11-28-19)14-4-6-30(7-5-14)12-16-8-20-21(10-18(16)26)31-13-17(25)9-22(31)24(33)29-20/h2-4,8-11,13H,5-7,12H2,1H3,(H,27,32)(H,29,33)
InChIKeyIXQWPOUOQWOHQS-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

Analyze 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 with MolForge

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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]-N-methylpyridine-2-carboxamide
CID 171776882
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
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-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
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-[(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
5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide
CID 172524842
5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[2-(2,2-difluorocyclopropyl)oxyethyl]pyridine-2-carboxamide
CID 172524795
tert-butyl 4-[4-[[5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carbonyl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 176816699
5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572861
5-[(2R)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179043

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1ccc(C2=CCN(Cc3cc4[nH]c(=O)c5cc(F)cn5c4cc3F)CC2)cn1.
What is the InChIKey of 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?
The InChIKey is IXQWPOUOQWOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-27-23(32)19-3-2-15(11-28-19)14-4-6-30(7-5-14)12-16-8-20-21(10-18(16)26)31-13-17(25)9-22(31)24(33)29-20/h2-4,8-11,13H,5-7,12H2,1H3,(H,27,32)(H,29,33).
What are the key properties of 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?
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 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-[(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 is sourced from PubChem (CID 171776718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).