3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C103H85BrF3N51O — CID 160544267

IUPAC3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCCn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.C[C@@H](c1ccc2cccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.Cn1cc(-c2cnc3nnn(CC4=NCc5ncccc54)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4ccc5ccc(Br)n5c4)c3n2)cn1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5n4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5[nH]4)c3n2)cn1
InChIInChI=1S/2C18H16N8.C17H13BrN8.C17H12F3N9.C17H15N9O.C16H13N9/c1-12(13-5-6-15-4-3-7-25(15)11-13)26-18-17(22-23-26)19-9-16(21-18)14-8-20-24(2)10-14;1-2-25-12-14(8-20-25)16-9-19-17-18(21-16)26(23-22-17)11-13-5-6-15-4-3-7-24(15)10-13;1-24-10-12(6-20-24)14-7-19-16-17(21-14)26(23-22-16)9-11-2-3-13-4-5-15(18)25(13)8-11;18-17(19,20)10-27-8-11(6-22-27)14-7-21-15-16(23-14)29(26-24-15)9-12-3-4-13-2-1-5-28(13)25-12;27-5-4-25-9-12(7-20-25)14-8-19-16-17(22-14)26(24-23-16)10-13-6-11-2-1-3-18-15(11)21-13;1-24-8-10(5-20-24)12-6-19-15-16(21-12)25(23-22-15)9-14-11-3-2-4-17-13(11)7-18-14/h3-12H,1-2H3;3-10,12H,2,11H2,1H3;2-8,10H,9H2,1H3;1-8H,9-10H2;1-3,6-9,27H,4-5,10H2,(H,18,21);2-6,8H,7,9H2,1H3/t12-;;;;;/m0...../s1
InChIKeyQXFCTLSYWLLVKR-SXZTZMMXSA-N
MW2190.07 g/mol
LogP11.94
Rot. Bonds22

About 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 160544267) has the molecular formula C103H85BrF3N51O and a molecular weight of 2190.07 g/mol. Its IUPAC name is 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID160544267
Molecular FormulaC103H85BrF3N51O
Molecular Weight2190.07 g/mol
Exact Mass2187.73
IUPAC Name3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCCn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.C[C@@H](c1ccc2cccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.Cn1cc(-c2cnc3nnn(CC4=NCc5ncccc54)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4ccc5ccc(Br)n5c4)c3n2)cn1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5n4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5[nH]4)c3n2)cn1
InChIInChI=1S/2C18H16N8.C17H13BrN8.C17H12F3N9.C17H15N9O.C16H13N9/c1-12(13-5-6-15-4-3-7-25(15)11-13)26-18-17(22-23-26)19-9-16(21-18)14-8-20-24(2)10-14;1-2-25-12-14(8-20-25)16-9-19-17-18(21-16)26(23-22-17)11-13-5-6-15-4-3-7-24(15)10-13;1-24-10-12(6-20-24)14-7-19-16-17(21-14)26(23-22-16)9-11-2-3-13-4-5-15(18)25(13)8-11;18-17(19,20)10-27-8-11(6-22-27)14-7-21-15-16(23-14)29(26-24-15)9-12-3-4-13-2-1-5-28(13)25-12;27-5-4-25-9-12(7-20-25)14-8-19-16-17(22-14)26(24-23-16)10-13-6-11-2-1-3-18-15(11)21-13;1-24-8-10(5-20-24)12-6-19-15-16(21-12)25(23-22-15)9-14-11-3-2-4-17-13(11)7-18-14/h3-12H,1-2H3;3-10,12H,2,11H2,1H3;2-8,10H,9H2,1H3;1-8H,9-10H2;1-3,6-9,27H,4-5,10H2,(H,18,21);2-6,8H,7,9H2,1H3/t12-;;;;;/m0...../s1
InChIKeyQXFCTLSYWLLVKR-SXZTZMMXSA-N
XLogP11.94
TPSA550.55 Ų
H-Bond Donors2
H-Bond Acceptors51
Rotatable Bonds22
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.07
LogP ≤ 511.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1051

Analyze 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
5-[(dimethylamino)methyl]-2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[2-[[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methylamino]ethoxy]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035496
3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145034066
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
CID 145035331
2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
CID 145037718
2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane
CID 145038538
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664847
N,N-dimethyl-1-[5-[3-[7-[5-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;ethane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145664978
3-[3-[2-[[2-(2,2-difluoroethyl)pyrazol-3-yl]amino]-6-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-4-yl]-5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
CID 155376547
2-[2-hydroxyethyl-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 157051452
5-tert-butyl-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;5-tert-butyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;3-ethyl-5-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;5-methyl-3-propan-2-yl-7H-pyrrolo[3,4-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-7-amine
CID 157229869

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 160544267) is 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CCn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.C[C@@H](c1ccc2cccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.Cn1cc(-c2cnc3nnn(CC4=NCc5ncccc54)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4ccc5ccc(Br)n5c4)c3n2)cn1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5n4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5[nH]4)c3n2)cn1.
What is the InChIKey of 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is QXFCTLSYWLLVKR-SXZTZMMXSA-N. The full InChI is InChI=1S/2C18H16N8.C17H13BrN8.C17H12F3N9.C17H15N9O.C16H13N9/c1-12(13-5-6-15-4-3-7-25(15)11-13)26-18-17(22-23-26)19-9-16(21-18)14-8-20-24(2)10-14;1-2-25-12-14(8-20-25)16-9-19-17-18(21-16)26(23-22-17)11-13-5-6-15-4-3-7-24(15)10-13;1-24-10-12(6-20-24)14-7-19-16-17(21-14)26(23-22-16)9-11-2-3-13-4-5-15(18)25(13)8-11;18-17(19,20)10-27-8-11(6-22-27)14-7-21-15-16(23-14)29(26-24-15)9-12-3-4-13-2-1-5-28(13)25-12;27-5-4-25-9-12(7-20-25)14-8-19-16-17(22-14)26(24-23-16)10-13-6-11-2-1-3-18-15(11)21-13;1-24-8-10(5-20-24)12-6-19-15-16(21-12)25(23-22-15)9-14-11-3-2-4-17-13(11)7-18-14/h3-12H,1-2H3;3-10,12H,2,11H2,1H3;2-8,10H,9H2,1H3;1-8H,9-10H2;1-3,6-9,27H,4-5,10H2,(H,18,21);2-6,8H,7,9H2,1H3/t12-;;;;;/m0...../s1.
What are the key properties of 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 2190.07 g/mol, XLogP of 11.94, 22 rotatable bonds, 2 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromoindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-ethylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[(1S)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 160544267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).