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

C26H29FN4O — CID 22580684

IUPAC5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C26H29FN4O/c1-3-31-23-17-19(2)6-11-22(23)30-14-4-5-24(30)26(31)12-15-29(16-13-26)25(32)28-18-20-7-9-21(27)10-8-20/h4-11,14,17H,3,12-13,15-16,18H2,1-2H3,(H,28,32)
InChIKeyRPSFMGSAPCIRLG-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.97
Rot. Bonds3

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

5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (PubChem CID 22580684) has the molecular formula C26H29FN4O and a molecular weight of 432.54 g/mol. Its IUPAC name is 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.

Molecular Properties

Compound Name5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
PubChem CID22580684
Molecular FormulaC26H29FN4O
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C26H29FN4O/c1-3-31-23-17-19(2)6-11-22(23)30-14-4-5-24(30)26(31)12-15-29(16-13-26)25(32)28-18-20-7-9-21(27)10-8-20/h4-11,14,17H,3,12-13,15-16,18H2,1-2H3,(H,28,32)
InChIKeyRPSFMGSAPCIRLG-UHFFFAOYSA-N
XLogP4.97
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.97
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
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-[2-(3-methylphenyl)pyridin-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647076
3-(2-{4-[1-(4-Fluoro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,1-dimethyl-urea
CID 10025272
1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-piperidin-1-yl}-ethyl)-1,3-dimethyl-urea
CID 10047887
3-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-piperidin-1-yl}-ethyl)-1,1-dimethyl-urea
CID 10093723
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-3-phenyl-N-(2-(quinoxalin-6-yl)ethyl)piperidine-1-carboxamide
CID 42643591
8-(6-methylpyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118087455

Frequently Asked Questions

What is the IUPAC name of 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The IUPAC name of 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (CID 22580684) is 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.
What is the SMILES notation for 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The canonical SMILES for 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NCc1ccc(F)cc1)CC2.
What is the InChIKey of 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The InChIKey is RPSFMGSAPCIRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O/c1-3-31-23-17-19(2)6-11-22(23)30-14-4-5-24(30)26(31)12-15-29(16-13-26)25(32)28-18-20-7-9-21(27)10-8-20/h4-11,14,17H,3,12-13,15-16,18H2,1-2H3,(H,28,32).
What are the key properties of 5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
5'-ethyl-N-[(4-fluorophenyl)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 4.97, 3 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)methyl]-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is sourced from PubChem (CID 22580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).