N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C95H87N25O10S4 — CID 160676081

IUPACN-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cc1S(C)(=O)=O.CS(=O)(=O)c1cncc(-c2nc(NCC3(O)CCCCC3)c3c(-c4ccccc4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4cccnc4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ncc[nH]3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C25H22N6O3S.C25H27N5O3S.C23H19N7O2S.C22H19N7O2S/c1-34-25-21(35(2,32)33)14-18(15-28-25)23-29-24(27-16-19-10-6-7-12-26-19)22-20(11-13-31(22)30-23)17-8-4-3-5-9-17;1-34(32,33)20-14-19(15-26-16-20)23-28-24(27-17-25(31)11-6-3-7-12-25)22-21(10-13-30(22)29-23)18-8-4-2-5-9-18;1-33(31,32)19-11-17(13-25-15-19)22-28-23(27-14-18-6-2-3-9-26-18)21-20(7-10-30(21)29-22)16-5-4-8-24-12-16;1-32(30,31)17-11-16(12-23-13-17)21-27-22(26-14-19-24-8-9-25-19)20-18(7-10-29(20)28-21)15-5-3-2-4-6-15/h3-15H,16H2,1-2H3,(H,27,29,30);2,4-5,8-10,13-16,31H,3,6-7,11-12,17H2,1H3,(H,27,28,29);2-13,15H,14H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,24,25)(H,26,27,28)
InChIKeyRNNVNIQHSBGBIC-UHFFFAOYSA-N
MW1867.17 g/mol
LogP14.31
Rot. Bonds25

About N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 160676081) has the molecular formula C95H87N25O10S4 and a molecular weight of 1867.17 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID160676081
Molecular FormulaC95H87N25O10S4
Molecular Weight1867.17 g/mol
Exact Mass1865.60
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cc1S(C)(=O)=O.CS(=O)(=O)c1cncc(-c2nc(NCC3(O)CCCCC3)c3c(-c4ccccc4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4cccnc4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ncc[nH]3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C25H22N6O3S.C25H27N5O3S.C23H19N7O2S.C22H19N7O2S/c1-34-25-21(35(2,32)33)14-18(15-28-25)23-29-24(27-16-19-10-6-7-12-26-19)22-20(11-13-31(22)30-23)17-8-4-3-5-9-17;1-34(32,33)20-14-19(15-26-16-20)23-28-24(27-17-25(31)11-6-3-7-12-25)22-21(10-13-30(22)29-23)18-8-4-2-5-9-18;1-33(31,32)19-11-17(13-25-15-19)22-28-23(27-14-18-6-2-3-9-26-18)21-20(7-10-30(21)29-22)16-5-4-8-24-12-16;1-32(30,31)17-11-16(12-23-13-17)21-27-22(26-14-19-24-8-9-25-19)20-18(7-10-29(20)28-21)15-5-3-2-4-6-15/h3-15H,16H2,1-2H3,(H,27,29,30);2,4-5,8-10,13-16,31H,3,6-7,11-12,17H2,1H3,(H,27,28,29);2-13,15H,14H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,24,25)(H,26,27,28)
InChIKeyRNNVNIQHSBGBIC-UHFFFAOYSA-N
XLogP14.31
TPSA453.81 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001867.17
LogP ≤ 514.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine 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-tert-butyl-5-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methoxypyridine-3-sulfonamide;5-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methoxypyridine-3-sulfonamide;2,2,2-trifluoroacetic acid
CID 157752238
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-[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-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1lambda6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2lambda6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 157341725
6-[4-[2-(4,5-dimethylpyrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1lambda6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;tris(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);6-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 157648820
N-tert-butyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-propan-2-yloxypyridine-3-sulfonamide;N-tert-butyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide;2-chloro-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157662269
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
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157749241
5-(1H-imidazol-2-yl)-2-[2-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]piperazin-2-one;1-[4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]piperazin-1-yl]ethanone;1-methyl-4-[2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethyl]piperazin-2-one
CID 157831595
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
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-6-(oxan-4-ylmethoxy)imidazo[1,2-b]pyridazine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 158358077

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 160676081) is N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cc1S(C)(=O)=O.CS(=O)(=O)c1cncc(-c2nc(NCC3(O)CCCCC3)c3c(-c4ccccc4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4cccnc4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ncc[nH]3)c3c(-c4ccccc4)ccn3n2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is RNNVNIQHSBGBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S.C25H27N5O3S.C23H19N7O2S.C22H19N7O2S/c1-34-25-21(35(2,32)33)14-18(15-28-25)23-29-24(27-16-19-10-6-7-12-26-19)22-20(11-13-31(22)30-23)17-8-4-3-5-9-17;1-34(32,33)20-14-19(15-26-16-20)23-28-24(27-17-25(31)11-6-3-7-12-25)22-21(10-13-30(22)29-23)18-8-4-2-5-9-18;1-33(31,32)19-11-17(13-25-15-19)22-28-23(27-14-18-6-2-3-9-26-18)21-20(7-10-30(21)29-22)16-5-4-8-24-12-16;1-32(30,31)17-11-16(12-23-13-17)21-27-22(26-14-19-24-8-9-25-19)20-18(7-10-29(20)28-21)15-5-3-2-4-6-15/h3-15H,16H2,1-2H3,(H,27,29,30);2,4-5,8-10,13-16,31H,3,6-7,11-12,17H2,1H3,(H,27,28,29);2-13,15H,14H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,24,25)(H,26,27,28).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1867.17 g/mol, XLogP of 14.31, 25 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(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-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[[[2-(5-methylsulfonyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]cyclohexan-1-ol;2-(5-methylsulfonyl-3-pyridinyl)-5-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 160676081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).