4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide

C22H19F3N6O — CID 170783879

IUPAC4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cn1)N(C(=O)c1ccc2nc(N)c3cncn3c2c1)C1CC1
InChIInChI=1S/C22H19F3N6O/c1-12(16-7-3-14(9-28-16)22(23,24)25)31(15-4-5-15)21(32)13-2-6-17-18(8-13)30-11-27-10-19(30)20(26)29-17/h2-3,6-12,15H,4-5H2,1H3,(H2,26,29)/t12-/m0/s1
InChIKeyGOEMMSQLQXBTFS-LBPRGKRZSA-N
MW440.43 g/mol
LogP4.24
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide

4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide (PubChem CID 170783879) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
PubChem CID170783879
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cn1)N(C(=O)c1ccc2nc(N)c3cncn3c2c1)C1CC1
InChIInChI=1S/C22H19F3N6O/c1-12(16-7-3-14(9-28-16)22(23,24)25)31(15-4-5-15)21(32)13-2-6-17-18(8-13)30-11-27-10-19(30)20(26)29-17/h2-3,6-12,15H,4-5H2,1H3,(H2,26,29)/t12-/m0/s1
InChIKeyGOEMMSQLQXBTFS-LBPRGKRZSA-N
XLogP4.24
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 174220847
2-amino-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710064
4-amino-7-chloro-N-propan-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175487771
4-amino-N-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 176723151
4-amino-N-methyl-N-[(3R)-6-(pentafluoro-λ6-sulfanyl)-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 176723152
4-amino-N-cyclopropyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382618
4-amino-N,7-dimethyl-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-carboxamide
CID 177043103
4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383591
acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide
CID 169111965
2-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830926
2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166719436
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide (CID 170783879) is 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide is C[C@@H](c1ccc(C(F)(F)F)cn1)N(C(=O)c1ccc2nc(N)c3cncn3c2c1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
The InChIKey is GOEMMSQLQXBTFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H19F3N6O/c1-12(16-7-3-14(9-28-16)22(23,24)25)31(15-4-5-15)21(32)13-2-6-17-18(8-13)30-11-27-10-19(30)20(26)29-17/h2-3,6-12,15H,4-5H2,1H3,(H2,26,29)/t12-/m0/s1.
What are the key properties of 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 170783879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).