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

C25H27FN4O — CID 22580671

IUPAC5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C25H27FN4O/c1-3-30-22-17-18(2)6-11-21(22)29-14-4-5-23(29)25(30)12-15-28(16-13-25)24(31)27-20-9-7-19(26)8-10-20/h4-11,14,17H,3,12-13,15-16H2,1-2H3,(H,27,31)
InChIKeyVIRHVSHDUIKFLN-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.29
Rot. Bonds2

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

5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (PubChem CID 22580671) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.

Molecular Properties

Compound Name5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
PubChem CID22580671
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C25H27FN4O/c1-3-30-22-17-18(2)6-11-21(22)29-14-4-5-23(29)25(30)12-15-28(16-13-25)24(31)27-20-9-7-19(26)8-10-20/h4-11,14,17H,3,12-13,15-16H2,1-2H3,(H,27,31)
InChIKeyVIRHVSHDUIKFLN-UHFFFAOYSA-N
XLogP5.29
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Omecamtiv Mecarbil
CID 11689883
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
5-(1-((5-(4-Fluorophenyl)pyridin-3-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5d)
CID 131635608
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-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-piperidin-1-yl}-ethyl)-1,1-dimethyl-urea
CID 10093723
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
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline
CID 10571450
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

Frequently Asked Questions

What is the IUPAC name of 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The IUPAC name of 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (CID 22580671) is 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.
What is the SMILES notation for 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The canonical SMILES for 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1ccc(F)cc1)CC2.
What is the InChIKey of 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The InChIKey is VIRHVSHDUIKFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-3-30-22-17-18(2)6-11-21(22)29-14-4-5-23(29)25(30)12-15-28(16-13-25)24(31)27-20-9-7-19(26)8-10-20/h4-11,14,17H,3,12-13,15-16H2,1-2H3,(H,27,31).
What are the key properties of 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-ethyl-N-(4-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is sourced from PubChem (CID 22580671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).