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

C23H18F4N8O2 — CID 177043117

IUPAC4-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
SMILESCNN(C(=O)c1cc2c(cc1F)nc(N)c1cncn12)C1COCc2c1ccn1c(C(F)(F)F)cnc21
InChIInChI=1S/C23H18F4N8O2/c1-29-35(18-9-37-8-13-11(18)2-3-33-19(23(25,26)27)7-31-21(13)33)22(36)12-4-16-15(5-14(12)24)32-20(28)17-6-30-10-34(16)17/h2-7,10,18,29H,8-9H2,1H3,(H2,28,32)
InChIKeySXASEIBOXZYGON-UHFFFAOYSA-N
MW514.44 g/mol
LogP3.12
Rot. Bonds3

About 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

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 (PubChem CID 177043117) has the molecular formula C23H18F4N8O2 and a molecular weight of 514.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID177043117
Molecular FormulaC23H18F4N8O2
Molecular Weight514.44 g/mol
Exact Mass514.15
IUPAC Name4-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
SMILESCNN(C(=O)c1cc2c(cc1F)nc(N)c1cncn12)C1COCc2c1ccn1c(C(F)(F)F)cnc21
InChIInChI=1S/C23H18F4N8O2/c1-29-35(18-9-37-8-13-11(18)2-3-33-19(23(25,26)27)7-31-21(13)33)22(36)12-4-16-15(5-14(12)24)32-20(28)17-6-30-10-34(16)17/h2-7,10,18,29H,8-9H2,1H3,(H2,28,32)
InChIKeySXASEIBOXZYGON-UHFFFAOYSA-N
XLogP3.12
TPSA115.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366332
4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 172101198
4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 172101199
4-amino-7-fluoro-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 172101236
4-amino-N-methyl-N-[7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 172101276
7-[[8-(Dimethylamino)spiro[7,8-dihydropyrano[4,3-b]pyridine-5,4'-oxane]-2-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 178254845
7-[[8-(Dimethylamino)spiro[7,8-dihydropyrano[4,3-b]pyridine-5,1'-cyclobutane]-2-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 178254928
5-[4-(3-Hydroxy-propylamino)-7-trifluoromethyl-imidazo[1,2-a]quinoxalin-1-yl]-1H-pyrazole-3-carboxylic acid ethyl ester
CID 59333302
6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[2-(pyridin-3-ylmethoxy)ethyl]benzimidazole-5-carboxamide
CID 154991711
6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[2-(pyridin-4-ylmethoxy)ethyl]benzimidazole-5-carboxamide
CID 154991712
ethyl 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1H-pyrazole-5-carboxylate;3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 160938933
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-(2-oxa-6,9-diazaspiro[4.5]decan-9-yl)quinoxaline-5-carboxamide
CID 167500149

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNN(C(=O)c1cc2c(cc1F)nc(N)c1cncn12)C1COCc2c1ccn1c(C(F)(F)F)cnc21.
What is the InChIKey of 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?
The InChIKey is SXASEIBOXZYGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N8O2/c1-29-35(18-9-37-8-13-11(18)2-3-33-19(23(25,26)27)7-31-21(13)33)22(36)12-4-16-15(5-14(12)24)32-20(28)17-6-30-10-34(16)17/h2-7,10,18,29H,8-9H2,1H3,(H2,28,32).
What are the key properties of 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?
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 has a molecular weight of 514.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177043117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).