N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide

C25H26F2N4O — CID 22580681

IUPACN-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1F)CC2
InChIInChI=1S/C25H26F2N4O/c1-3-31-22-15-17(2)6-9-21(22)30-12-4-5-23(30)25(31)10-13-29(14-11-25)24(32)28-20-8-7-18(26)16-19(20)27/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,28,32)
InChIKeyPXRJVRSKUSHYRS-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.43
Rot. Bonds2

About N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide

N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (PubChem CID 22580681) has the molecular formula C25H26F2N4O and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
PubChem CID22580681
Molecular FormulaC25H26F2N4O
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1F)CC2
InChIInChI=1S/C25H26F2N4O/c1-3-31-22-15-17(2)6-9-21(22)30-12-4-5-23(30)25(31)10-13-29(14-11-25)24(32)28-20-8-7-18(26)16-19(20)27/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,28,32)
InChIKeyPXRJVRSKUSHYRS-UHFFFAOYSA-N
XLogP5.43
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 10022547
3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 15646710
1,3-Diethyl-5-(5-pyridin-3-yl-2-m-tolyl-1H-pyrrol-3-yl)-1,3-dihydro-benzoimidazol-2-one
CID 17952492
1,3-diethyl-5-[2-(3-methylphenyl)pyridin-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647076
3-methyl-N-pyridin-3-yl-8,9-dihydro-7H-pyrrolo[3,2-f]quinoline-6-carboxamide
CID 10335309
1-methyl-N-pyridin-3-yl-7,8-dihydro-6H-pyrrolo[2,3-g]quinoline-5-carboxamide
CID 10335310
N-ethyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10735588
N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10832597
1-(3-fluorobenzyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 11712583
3-Methyl-8-pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 11978213
(8R)-N-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 25234679
3-methyl-3-phenyl-N-(2-(quinoxalin-6-yl)ethyl)piperidine-1-carboxamide
CID 42643591

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (CID 22580681) is N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1F)CC2.
What is the InChIKey of N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The InChIKey is PXRJVRSKUSHYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O/c1-3-31-22-15-17(2)6-9-21(22)30-12-4-5-23(30)25(31)10-13-29(14-11-25)24(32)28-20-8-7-18(26)16-19(20)27/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,28,32).
What are the key properties of N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5'-ethyl-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is sourced from PubChem (CID 22580681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).