3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

C56H47F3N24O — CID 162027704

IUPAC3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
SMILESCNCc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.COc1ccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cc1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1
InChIInChI=1S/C20H16N6O.C19H19N9.C17H12F3N9/c1-27-17-8-5-15(6-9-17)18-11-21-19-20(22-18)26(24-23-19)13-14-4-7-16-3-2-10-25(16)12-14;1-20-8-16-6-5-15-4-3-13(10-27(15)16)11-28-19-18(24-25-28)21-9-17(23-19)14-7-22-26(2)12-14;18-17(19,20)10-27-9-12(5-23-27)14-6-21-15-16(24-14)29(26-25-15)8-11-1-2-13-3-4-22-28(13)7-11/h2-12H,13H2,1H3;3-7,9-10,12,20H,8,11H2,1-2H3;1-7,9H,8,10H2
InChIKeyYVPJMXVOJQFSGM-UHFFFAOYSA-N
MW1129.15 g/mol
LogP7.18
Rot. Bonds13

About 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (PubChem CID 162027704) has the molecular formula C56H47F3N24O and a molecular weight of 1129.15 g/mol. Its IUPAC name is 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
PubChem CID162027704
Molecular FormulaC56H47F3N24O
Molecular Weight1129.15 g/mol
Exact Mass1128.43
IUPAC Name3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
SMILESCNCc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.COc1ccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cc1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1
InChIInChI=1S/C20H16N6O.C19H19N9.C17H12F3N9/c1-27-17-8-5-15(6-9-17)18-11-21-19-20(22-18)26(24-23-19)13-14-4-7-16-3-2-10-25(16)12-14;1-20-8-16-6-5-15-4-3-13(10-27(15)16)11-28-19-18(24-25-28)21-9-17(23-19)14-7-22-26(2)12-14;18-17(19,20)10-27-9-12(5-23-27)14-6-21-15-16(24-14)29(26-25-15)8-11-1-2-13-3-4-22-28(13)7-11/h2-12H,13H2,1H3;3-7,9-10,12,20H,8,11H2,1-2H3;1-7,9H,8,10H2
InChIKeyYVPJMXVOJQFSGM-UHFFFAOYSA-N
XLogP7.18
TPSA252.49 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.15
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine 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

7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
WO2022090481, Example I-022
CID 163273430
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879451
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(4-fluoro-3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879517
4-(3-(3-fluoro-4-methoxybenzyl)-4,5-dihydro-3H-1,2,2a1,5-tetraazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 136996846
4-[(5S)-5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,7,12-tetrazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145713226
4-[(5R)-5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,7,12-tetrazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145713227
WO2022090481, Example I-030
CID 164514170
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 68181936
5-[5-[4-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 68181986
N,7-dimethyl-5-[1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine
CID 68181987

Frequently Asked Questions

What is the IUPAC name of 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The IUPAC name of 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (CID 162027704) is 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is CNCc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.COc1ccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cc1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1.
What is the InChIKey of 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The InChIKey is YVPJMXVOJQFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O.C19H19N9.C17H12F3N9/c1-27-17-8-5-15(6-9-17)18-11-21-19-20(22-18)26(24-23-19)13-14-4-7-16-3-2-10-25(16)12-14;1-20-8-16-6-5-15-4-3-13(10-27(15)16)11-28-19-18(24-25-28)21-9-17(23-19)14-7-22-26(2)12-14;18-17(19,20)10-27-9-12(5-23-27)14-6-21-15-16(24-14)29(26-25-15)8-11-1-2-13-3-4-22-28(13)7-11/h2-12H,13H2,1H3;3-7,9-10,12,20H,8,11H2,1-2H3;1-7,9H,8,10H2.
What are the key properties of 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine has a molecular weight of 1129.15 g/mol, XLogP of 7.18, 13 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(indolizin-6-ylmethyl)-5-(4-methoxyphenyl)triazolo[4,5-b]pyrazine;N-methyl-1-[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanamine;3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 162027704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).