N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide

C17H12FN5O — CID 58138022

IUPACN-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1nc2cc(F)ccc2n2cccc12)c1cnccn1
InChIInChI=1S/C17H12FN5O/c18-11-3-4-16-12(8-11)22-13(15-2-1-7-23(15)16)10-21-17(24)14-9-19-5-6-20-14/h1-9H,10H2,(H,21,24)
InChIKeyLCDMQVSDPDSEDH-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.35
Rot. Bonds3

About N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide

N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 58138022) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID58138022
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC NameN-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1nc2cc(F)ccc2n2cccc12)c1cnccn1
InChIInChI=1S/C17H12FN5O/c18-11-3-4-16-12(8-11)22-13(15-2-1-7-23(15)16)10-21-17(24)14-9-19-5-6-20-14/h1-9H,10H2,(H,21,24)
InChIKeyLCDMQVSDPDSEDH-UHFFFAOYSA-N
XLogP2.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]pyrazine-2-carboxamide
CID 162798393
N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
CID 53163992
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide
CID 53164110
7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
CID 177405895
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794096
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 54582823
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794826
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide (CID 58138022) is N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide is O=C(NCc1nc2cc(F)ccc2n2cccc12)c1cnccn1.
What is the InChIKey of N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is LCDMQVSDPDSEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-11-3-4-16-12(8-11)22-13(15-2-1-7-23(15)16)10-21-17(24)14-9-19-5-6-20-14/h1-9H,10H2,(H,21,24).
What are the key properties of N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide?
N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 58138022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).