5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine

C60H49ClF2N16O5 — CID 159345076

IUPAC5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(C)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(C)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(Cl)ccn3n2)n1.Nc1ccncc1F
InChIInChI=1S/C19H16N4O2.C18H13ClN4O2.C18H15FN6O.C5H5FN2/c1-13-11-12-23-17(13)19(25-14-7-4-3-5-8-14)21-18(22-23)15-9-6-10-16(20-15)24-2;1-24-15-9-5-8-14(20-15)17-21-18(25-12-6-3-2-4-7-12)16-13(19)10-11-23(16)22-17;1-11-7-9-25-16(11)18(22-13-6-8-20-10-12(13)19)23-17(24-25)14-4-3-5-15(21-14)26-2;6-4-3-8-2-1-5(4)7/h3-12H,1-2H3;2-11H,1H3;3-10H,1-2H3,(H,20,22,23,24);1-3H,(H2,7,8)
InChIKeyLGPSNQKNVKXDFI-UHFFFAOYSA-N
MW1147.61 g/mol
LogP12.34
Rot. Bonds12

About 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine

5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine (PubChem CID 159345076) has the molecular formula C60H49ClF2N16O5 and a molecular weight of 1147.61 g/mol. Its IUPAC name is 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
PubChem CID159345076
Molecular FormulaC60H49ClF2N16O5
Molecular Weight1147.61 g/mol
Exact Mass1146.37
IUPAC Name5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3c(C)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(C)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(Cl)ccn3n2)n1.Nc1ccncc1F
InChIInChI=1S/C19H16N4O2.C18H13ClN4O2.C18H15FN6O.C5H5FN2/c1-13-11-12-23-17(13)19(25-14-7-4-3-5-8-14)21-18(22-23)15-9-6-10-16(20-15)24-2;1-24-15-9-5-8-14(20-15)17-21-18(25-12-6-3-2-4-7-12)16-13(19)10-11-23(16)22-17;1-11-7-9-25-16(11)18(22-13-6-8-20-10-12(13)19)23-17(24-25)14-4-3-5-15(21-14)26-2;6-4-3-8-2-1-5(4)7/h3-12H,1-2H3;2-11H,1H3;3-10H,1-2H3,(H,20,22,23,24);1-3H,(H2,7,8)
InChIKeyLGPSNQKNVKXDFI-UHFFFAOYSA-N
XLogP12.34
TPSA239.22 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001147.61
LogP ≤ 512.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine 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

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
US9765058, Example 2-2-5
CID 86582843
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032846
US10336761, Example 113
CID 126484420
US10336761, Example 45
CID 126484406
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-amine
CID 57691129
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 57691378
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691382
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-morpholin-4-yl-4-N,6-N-dipyridin-4-ylpyrimidine-4,6-diamine
CID 86275024
3-[4-Amino-1-[[5-methyl-4-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]oxypyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345023
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-morpholin-4-yl-4-N,6-N-di(pyrimidin-4-yl)pyrimidine-4,6-diamine
CID 118877151
N-(3-chloro-4-pyridinyl)-2-[1-[[4-(cyclopropylmethoxy)-2,6-difluorophenyl]methyl]indazol-3-yl]-5-[3-(4-methylpiperazin-1-yl)propoxy]pyrimidin-4-amine
CID 118960953

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine (CID 159345076) is 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine is COc1cccc(-c2nc(Nc3ccncc3F)c3c(C)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(C)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(Cl)ccn3n2)n1.Nc1ccncc1F.
What is the InChIKey of 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is LGPSNQKNVKXDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.C18H13ClN4O2.C18H15FN6O.C5H5FN2/c1-13-11-12-23-17(13)19(25-14-7-4-3-5-8-14)21-18(22-23)15-9-6-10-16(20-15)24-2;1-24-15-9-5-8-14(20-15)17-21-18(25-12-6-3-2-4-7-12)16-13(19)10-11-23(16)22-17;1-11-7-9-25-16(11)18(22-13-6-8-20-10-12(13)19)23-17(24-25)14-4-3-5-15(21-14)26-2;6-4-3-8-2-1-5(4)7/h3-12H,1-2H3;2-11H,1H3;3-10H,1-2H3,(H,20,22,23,24);1-3H,(H2,7,8).
What are the key properties of 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine?
5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 1147.61 g/mol, XLogP of 12.34, 12 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 159345076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).