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

C24H20F3N7O2 — CID 177043103

IUPAC4-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
SMILESCc1cc2nc(N)c3cncn3c2cc1C(=O)N(C)C1COCc2c1ccn1c(C(F)(F)F)cnc21
InChIInChI=1S/C24H20F3N7O2/c1-12-5-16-17(34-11-29-7-18(34)21(28)31-16)6-14(12)23(35)32(2)19-10-36-9-15-13(19)3-4-33-20(24(25,26)27)8-30-22(15)33/h3-8,11,19H,9-10H2,1-2H3,(H2,28,31)
InChIKeyYZCKKKWQDYAUCD-UHFFFAOYSA-N
MW495.47 g/mol
LogP3.78
Rot. Bonds2

About 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

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 (PubChem CID 177043103) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID177043103
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name4-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
SMILESCc1cc2nc(N)c3cncn3c2cc1C(=O)N(C)C1COCc2c1ccn1c(C(F)(F)F)cnc21
InChIInChI=1S/C24H20F3N7O2/c1-12-5-16-17(34-11-29-7-18(34)21(28)31-16)6-14(12)23(35)32(2)19-10-36-9-15-13(19)3-4-33-20(24(25,26)27)8-30-22(15)33/h3-8,11,19H,9-10H2,1-2H3,(H2,28,31)
InChIKeyYZCKKKWQDYAUCD-UHFFFAOYSA-N
XLogP3.78
TPSA103.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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-[(4R)-8-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]-N,1,7-trimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867057
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-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-7-chloro-N-[(4S)-8-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867355
4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 170783879
4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866965
5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide
CID 164867569
4-amino-N-[(4R)-7,8-difluoro-3,4-dihydro-1H-isochromen-4-yl]-7-fluoro-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867043
4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 177043091
4-amino-7-chloro-N-methyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867503

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2nc(N)c3cncn3c2cc1C(=O)N(C)C1COCc2c1ccn1c(C(F)(F)F)cnc21.
What is the InChIKey of 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?
The InChIKey is YZCKKKWQDYAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c1-12-5-16-17(34-11-29-7-18(34)21(28)31-16)6-14(12)23(35)32(2)19-10-36-9-15-13(19)3-4-33-20(24(25,26)27)8-30-22(15)33/h3-8,11,19H,9-10H2,1-2H3,(H2,28,31).
What are the key properties of 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?
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 has a molecular weight of 495.47 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177043103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).