2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C96H81FN24O6S3 — CID 158998864

IUPAC2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccc(OC)nc4)ccn3n2)cn1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccc(F)cc4)ccn3n2)c1.CS(=O)(=O)c1nc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cs1.Cc1cncc(-c2nc(NC(C)c3ccccc3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C26H23N5.C24H19FN6O2S.C24H21N7O2.C22H18N6O2S2/c1-18-15-22(17-27-16-18)25-29-26(28-19(2)20-9-5-3-6-10-20)24-23(13-14-31(24)30-25)21-11-7-4-8-12-21;1-34(32,33)20-12-17(13-26-15-20)23-29-24(28-14-19-4-2-3-10-27-19)22-21(9-11-31(22)30-23)16-5-7-18(25)8-6-16;1-32-20-8-6-16(13-26-20)19-10-12-31-22(19)24(28-15-18-5-3-4-11-25-18)29-23(30-31)17-7-9-21(33-2)27-14-17;1-32(29,30)22-25-18(14-31-22)20-26-21(24-13-16-9-5-6-11-23-16)19-17(10-12-28(19)27-20)15-7-3-2-4-8-15/h3-17,19H,1-2H3,(H,28,29,30);2-13,15H,14H2,1H3,(H,28,29,30);3-14H,15H2,1-2H3,(H,28,29,30);2-12,14H,13H2,1H3,(H,24,26,27)
InChIKeyJRBYXFVGKBXFPA-UHFFFAOYSA-N
MW1782.06 g/mol
LogP17.76
Rot. Bonds24

About 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 158998864) has the molecular formula C96H81FN24O6S3 and a molecular weight of 1782.06 g/mol. Its IUPAC name is 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID158998864
Molecular FormulaC96H81FN24O6S3
Molecular Weight1782.06 g/mol
Exact Mass1780.59
IUPAC Name2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccc(OC)nc4)ccn3n2)cn1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccc(F)cc4)ccn3n2)c1.CS(=O)(=O)c1nc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cs1.Cc1cncc(-c2nc(NC(C)c3ccccc3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C26H23N5.C24H19FN6O2S.C24H21N7O2.C22H18N6O2S2/c1-18-15-22(17-27-16-18)25-29-26(28-19(2)20-9-5-3-6-10-20)24-23(13-14-31(24)30-25)21-11-7-4-8-12-21;1-34(32,33)20-12-17(13-26-15-20)23-29-24(28-14-19-4-2-3-10-27-19)22-21(9-11-31(22)30-23)16-5-7-18(25)8-6-16;1-32-20-8-6-16(13-26-20)19-10-12-31-22(19)24(28-15-18-5-3-4-11-25-18)29-23(30-31)17-7-9-21(33-2)27-14-17;1-32(29,30)22-25-18(14-31-22)20-26-21(24-13-16-9-5-6-11-23-16)19-17(10-12-28(19)27-20)15-7-3-2-4-8-15/h3-17,19H,1-2H3,(H,28,29,30);2-13,15H,14H2,1H3,(H,28,29,30);3-14H,15H2,1-2H3,(H,28,29,30);2-12,14H,13H2,1H3,(H,24,26,27)
InChIKeyJRBYXFVGKBXFPA-UHFFFAOYSA-N
XLogP17.76
TPSA358.74 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.06
LogP ≤ 517.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

bis(1H-benzimidazole);5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyridin-3-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 158030834
7-(2,4-Difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158035203
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;5-(1H-imidazol-2-yl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole;4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 158377509
N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;4,5-dimethyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;4-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine
CID 159662883
2-Methoxy-5-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
CID 90386078
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide;N-[2,4-difluoro-3-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide
CID 157069661
N-benzyl-2-cyclohexyl-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-5-(3,6-dihydro-2H-pyran-4-yl)-2-(5-methylsulfonyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methylsulfonylpyrazin-2-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-phenyl-2-(1H-pyrazol-5-yl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157299428
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 157562322
N-[(3-fluoro-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyrazin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157739291
8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine;N-[2-fluoro-4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;N-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 157907263
2-(6-amino-5-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-(cyclohexylmethyl)-5-(3,6-dihydro-2H-pyran-4-yl)-2-(5-methylsulfonyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157919009
6-(8-amino-2-methylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-6-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158190843

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 158998864) is 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccc(OC)nc4)ccn3n2)cn1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccc(F)cc4)ccn3n2)c1.CS(=O)(=O)c1nc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cs1.Cc1cncc(-c2nc(NC(C)c3ccccc3)c3c(-c4ccccc4)ccn3n2)c1.
What is the InChIKey of 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is JRBYXFVGKBXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5.C24H19FN6O2S.C24H21N7O2.C22H18N6O2S2/c1-18-15-22(17-27-16-18)25-29-26(28-19(2)20-9-5-3-6-10-20)24-23(13-14-31(24)30-25)21-11-7-4-8-12-21;1-34(32,33)20-12-17(13-26-15-20)23-29-24(28-14-19-4-2-3-10-27-19)22-21(9-11-31(22)30-23)16-5-7-18(25)8-6-16;1-32-20-8-6-16(13-26-20)19-10-12-31-22(19)24(28-15-18-5-3-4-11-25-18)29-23(30-31)17-7-9-21(33-2)27-14-17;1-32(29,30)22-25-18(14-31-22)20-26-21(24-13-16-9-5-6-11-23-16)19-17(10-12-28(19)27-20)15-7-3-2-4-8-15/h3-17,19H,1-2H3,(H,28,29,30);2-13,15H,14H2,1H3,(H,28,29,30);3-14H,15H2,1-2H3,(H,28,29,30);2-12,14H,13H2,1H3,(H,24,26,27).
What are the key properties of 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1782.06 g/mol, XLogP of 17.76, 24 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-(4-fluorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylsulfonyl-1,3-thiazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 158998864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).