2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine

C73H58Cl3N19O2 — CID 157257180

IUPAC2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccnc4ccccc34)c3cccn3n2)n1.Cc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.Cc1cccc(C)n1.Clc1nc(Cl)c2cccn2n1.Clc1nc(Oc2ccccc2)c2cccn2n1.Nc1ccnc2ccccc12
InChIInChI=1S/C21H16N6.C18H14N4O.C12H8ClN3O.C9H8N2.C7H9N.C6H3Cl2N3/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17;1-13-7-5-10-15(19-13)17-20-18(16-11-6-12-22(16)21-17)23-14-8-3-2-4-9-14;13-12-14-11(10-7-4-8-16(10)15-12)17-9-5-2-1-3-6-9;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6-4-3-5-7(2)8-6;7-5-4-2-1-3-11(4)10-6(8)9-5/h2-13H,1H3,(H,22,24,25,26);2-12H,1H3;1-8H;1-6H,(H2,10,11);3-5H,1-2H3;1-3H
InChIKeyAXAIIZKDHBXNIO-UHFFFAOYSA-N
MW1339.76 g/mol
LogP17.01
Rot. Bonds8

About 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine

2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine (PubChem CID 157257180) has the molecular formula C73H58Cl3N19O2 and a molecular weight of 1339.76 g/mol. Its IUPAC name is 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine.

Molecular Properties

Compound Name2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine
PubChem CID157257180
Molecular FormulaC73H58Cl3N19O2
Molecular Weight1339.76 g/mol
Exact Mass1337.41
IUPAC Name2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccnc4ccccc34)c3cccn3n2)n1.Cc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.Cc1cccc(C)n1.Clc1nc(Cl)c2cccn2n1.Clc1nc(Oc2ccccc2)c2cccn2n1.Nc1ccnc2ccccc12
InChIInChI=1S/C21H16N6.C18H14N4O.C12H8ClN3O.C9H8N2.C7H9N.C6H3Cl2N3/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17;1-13-7-5-10-15(19-13)17-20-18(16-11-6-12-22(16)21-17)23-14-8-3-2-4-9-14;13-12-14-11(10-7-4-8-16(10)15-12)17-9-5-2-1-3-6-9;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6-4-3-5-7(2)8-6;7-5-4-2-1-3-11(4)10-6(8)9-5/h2-13H,1H3,(H,22,24,25,26);2-12H,1H3;1-8H;1-6H,(H2,10,11);3-5H,1-2H3;1-3H
InChIKeyAXAIIZKDHBXNIO-UHFFFAOYSA-N
XLogP17.01
TPSA241.72 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001339.76
LogP ≤ 517.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine with MolForge

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Related Compounds

4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-3-yloxyethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728453
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(1-methylpyrazol-4-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 143835140
[4-Chloro-3-[[4-[4-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 146259770
N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 157325818
N-[[6-(imidazo[2,1-a]phthalazin-6-yloxymethyl)-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylimidazo[5,1-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[[2-(trifluoromethyl)imidazo[2,1-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157803796
N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 157814609
2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine
CID 158416251
2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pteridin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
CID 159519438
[4-Chloro-3-[[4-[3-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 159939722
N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;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 160258766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine?
The IUPAC name of 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine (CID 157257180) is 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine.
What is the SMILES notation for 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine?
The canonical SMILES for 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine is Cc1cccc(-c2nc(Nc3ccnc4ccccc34)c3cccn3n2)n1.Cc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.Cc1cccc(C)n1.Clc1nc(Cl)c2cccn2n1.Clc1nc(Oc2ccccc2)c2cccn2n1.Nc1ccnc2ccccc12.
What is the InChIKey of 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine?
The InChIKey is AXAIIZKDHBXNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6.C18H14N4O.C12H8ClN3O.C9H8N2.C7H9N.C6H3Cl2N3/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17;1-13-7-5-10-15(19-13)17-20-18(16-11-6-12-22(16)21-17)23-14-8-3-2-4-9-14;13-12-14-11(10-7-4-8-16(10)15-12)17-9-5-2-1-3-6-9;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6-4-3-5-7(2)8-6;7-5-4-2-1-3-11(4)10-6(8)9-5/h2-13H,1H3,(H,22,24,25,26);2-12H,1H3;1-8H;1-6H,(H2,10,11);3-5H,1-2H3;1-3H.
What are the key properties of 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine?
2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine has a molecular weight of 1339.76 g/mol, XLogP of 17.01, 8 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,6-dimethylpyridine;2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine;quinolin-4-amine is sourced from PubChem (CID 157257180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).