(4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone

C24H19F4N5O — CID 172507081

IUPAC(4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCC[C@@H]4Cc5cc(C(F)(F)F)ccc5C43)cc2n2cncc12
InChIInChI=1S/C24H19F4N5O/c25-17-9-18-19(33-11-30-10-20(33)22(29)31-18)8-16(17)23(34)32-5-1-2-12-6-13-7-14(24(26,27)28)3-4-15(13)21(12)32/h3-4,7-12,21H,1-2,5-6H2,(H2,29,31)/t12-,21?/m1/s1
InChIKeyXLQLDYMWNJXTRL-FXADVQPWSA-N
MW469.44 g/mol
LogP4.77
Rot. Bonds1

About (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone

(4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone (PubChem CID 172507081) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone
PubChem CID172507081
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name(4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone
SMILESNc1nc2cc(F)c(C(=O)N3CCC[C@@H]4Cc5cc(C(F)(F)F)ccc5C43)cc2n2cncc12
InChIInChI=1S/C24H19F4N5O/c25-17-9-18-19(33-11-30-10-20(33)22(29)31-18)8-16(17)23(34)32-5-1-2-12-6-13-7-14(24(26,27)28)3-4-15(13)21(12)32/h3-4,7-12,21H,1-2,5-6H2,(H2,29,31)/t12-,21?/m1/s1
InChIKeyXLQLDYMWNJXTRL-FXADVQPWSA-N
XLogP4.77
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone with MolForge

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Related Compounds

4-amino-7-fluoro-N'-methyl-N-[5-(trifluoromethyl)-12-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-10-yl]imidazo[1,5-a]quinoxaline-8-carbohydrazide
CID 177043117
4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 170783879
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119597323
4-amino-7-fluoro-N-methyl-N-[(3S)-6-[(2R)-2-pyridin-2-ylcyclopropyl]-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 172506933
4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
CID 171783411
[2-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 119437495
[2-(bromomethyl)piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80662604
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 167121916
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
(3R)-4-amino-N-cyclobutyl-7-fluoro-3-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170429800
hexadecyl 1-[2-fluoro-5-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylate
CID 91739301
(3-bromopiperidin-1-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80660661

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone?
The IUPAC name of (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone (CID 172507081) is (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone?
The canonical SMILES for (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone is Nc1nc2cc(F)c(C(=O)N3CCC[C@@H]4Cc5cc(C(F)(F)F)ccc5C43)cc2n2cncc12.
What is the InChIKey of (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone?
The InChIKey is XLQLDYMWNJXTRL-FXADVQPWSA-N. The full InChI is InChI=1S/C24H19F4N5O/c25-17-9-18-19(33-11-30-10-20(33)22(29)31-18)8-16(17)23(34)32-5-1-2-12-6-13-7-14(24(26,27)28)3-4-15(13)21(12)32/h3-4,7-12,21H,1-2,5-6H2,(H2,29,31)/t12-,21?/m1/s1.
What are the key properties of (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone?
(4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone has a molecular weight of 469.44 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone is sourced from PubChem (CID 172507081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).