6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine

C63H53F3N18O4 — CID 159778733

IUPAC6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine
SMILESC=Cc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.C=Cc1cc2c(Oc3ccccc3)nc(-c3cccc(OC)n3)nn2c1.CCc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.Nc1ccncc1F
InChIInChI=1S/C20H16N4O2.C19H17FN6O.C19H15FN6O.C5H5FN2/c1-3-14-12-17-20(26-15-8-5-4-6-9-15)22-19(23-24(17)13-14)16-10-7-11-18(21-16)25-2;2*1-3-12-9-16-19(23-14-7-8-21-10-13(14)20)24-18(25-26(16)11-12)15-5-4-6-17(22-15)27-2;6-4-3-8-2-1-5(4)7/h3-13H,1H2,2H3;4-11H,3H2,1-2H3,(H,21,23,24,25);3-11H,1H2,2H3,(H,21,23,24,25);1-3H,(H2,7,8)
InChIKeyNHBVSWACMUTXSS-UHFFFAOYSA-N
MW1183.23 g/mol
LogP12.40
Rot. Bonds15

About 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine

6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine (PubChem CID 159778733) has the molecular formula C63H53F3N18O4 and a molecular weight of 1183.23 g/mol. Its IUPAC name is 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine.

Molecular Properties

Compound Name6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine
PubChem CID159778733
Molecular FormulaC63H53F3N18O4
Molecular Weight1183.23 g/mol
Exact Mass1182.44
IUPAC Name6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine
SMILESC=Cc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.C=Cc1cc2c(Oc3ccccc3)nc(-c3cccc(OC)n3)nn2c1.CCc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.Nc1ccncc1F
InChIInChI=1S/C20H16N4O2.C19H17FN6O.C19H15FN6O.C5H5FN2/c1-3-14-12-17-20(26-15-8-5-4-6-9-15)22-19(23-24(17)13-14)16-10-7-11-18(21-16)25-2;2*1-3-12-9-16-19(23-14-7-8-21-10-13(14)20)24-18(25-26(16)11-12)15-5-4-6-17(22-15)27-2;6-4-3-8-2-1-5(4)7/h3-13H,1H2,2H3;4-11H,3H2,1-2H3,(H,21,23,24,25);3-11H,1H2,2H3,(H,21,23,24,25);1-3H,(H2,7,8)
InChIKeyNHBVSWACMUTXSS-UHFFFAOYSA-N
XLogP12.40
TPSA254.91 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.23
LogP ≤ 512.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine with MolForge

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Related Compounds

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US9765058, Example 2-2-10
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WO2022090481, Example I-022
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7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-4-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 44413420
N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
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CID 45487862
7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 45487864
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
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2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine?
The IUPAC name of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine (CID 159778733) is 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine.
What is the SMILES notation for 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine?
The canonical SMILES for 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine is C=Cc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.C=Cc1cc2c(Oc3ccccc3)nc(-c3cccc(OC)n3)nn2c1.CCc1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.Nc1ccncc1F.
What is the InChIKey of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine?
The InChIKey is NHBVSWACMUTXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2.C19H17FN6O.C19H15FN6O.C5H5FN2/c1-3-14-12-17-20(26-15-8-5-4-6-9-15)22-19(23-24(17)13-14)16-10-7-11-18(21-16)25-2;2*1-3-12-9-16-19(23-14-7-8-21-10-13(14)20)24-18(25-26(16)11-12)15-5-4-6-17(22-15)27-2;6-4-3-8-2-1-5(4)7/h3-13H,1H2,2H3;4-11H,3H2,1-2H3,(H,21,23,24,25);3-11H,1H2,2H3,(H,21,23,24,25);1-3H,(H2,7,8).
What are the key properties of 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine?
6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine has a molecular weight of 1183.23 g/mol, XLogP of 12.40, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-ethenyl-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;6-ethyl-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine is sourced from PubChem (CID 159778733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).