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

C93H85N23O5S2 — CID 157299428

IUPACN-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
SMILESCS(=O)(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(C4=CCOCC4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)n1.c1ccc(-c2ccn3nc(-c4ccn[nH]4)nc(NCc4ccccn4)c23)cc1.c1ccc(CNc2nc(C3CCCCC3)nn3ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C25H26N4.C24H23N5O3S.C23H19N7O2S.C21H17N7/c1-4-10-19(11-5-1)18-26-25-23-22(20-12-6-2-7-13-20)16-17-29(23)28-24(27-25)21-14-8-3-9-15-21;1-33(30,31)20-13-19(15-25-16-20)23-27-24(26-14-17-5-3-2-4-6-17)22-21(7-10-29(22)28-23)18-8-11-32-12-9-18;1-33(31,32)20-15-24-14-19(27-20)22-28-23(26-13-17-9-5-6-11-25-17)21-18(10-12-30(21)29-22)16-7-3-2-4-8-16;1-2-6-15(7-3-1)17-10-13-28-19(17)21(23-14-16-8-4-5-11-22-16)25-20(27-28)18-9-12-24-26-18/h1-2,4-7,10-13,16-17,21H,3,8-9,14-15,18H2,(H,26,27,28);2-8,10,13,15-16H,9,11-12,14H2,1H3,(H,26,27,28);2-12,14-15H,13H2,1H3,(H,26,28,29);1-13H,14H2,(H,24,26)(H,23,25,27)
InChIKeyBBSLYTHAUOWJEG-UHFFFAOYSA-N
MW1668.99 g/mol
LogP16.72
Rot. Bonds22

About 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

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 (PubChem CID 157299428) has the molecular formula C93H85N23O5S2 and a molecular weight of 1668.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID157299428
Molecular FormulaC93H85N23O5S2
Molecular Weight1668.99 g/mol
Exact Mass1667.65
IUPAC NameN-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
SMILESCS(=O)(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(C4=CCOCC4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)n1.c1ccc(-c2ccn3nc(-c4ccn[nH]4)nc(NCc4ccccn4)c23)cc1.c1ccc(CNc2nc(C3CCCCC3)nn3ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C25H26N4.C24H23N5O3S.C23H19N7O2S.C21H17N7/c1-4-10-19(11-5-1)18-26-25-23-22(20-12-6-2-7-13-20)16-17-29(23)28-24(27-25)21-14-8-3-9-15-21;1-33(30,31)20-13-19(15-25-16-20)23-27-24(26-14-17-5-3-2-4-6-17)22-21(7-10-29(22)28-23)18-8-11-32-12-9-18;1-33(31,32)20-15-24-14-19(27-20)22-28-23(26-13-17-9-5-6-11-25-17)21-18(10-12-30(21)29-22)16-7-3-2-4-8-16;1-2-6-15(7-3-1)17-10-13-28-19(17)21(23-14-16-8-4-5-11-22-16)25-20(27-28)18-9-12-24-26-18/h1-2,4-7,10-13,16-17,21H,3,8-9,14-15,18H2,(H,26,27,28);2-8,10,13,15-16H,9,11-12,14H2,1H3,(H,26,27,28);2-12,14-15H,13H2,1H3,(H,26,28,29);1-13H,14H2,(H,24,26)(H,23,25,27)
InChIKeyBBSLYTHAUOWJEG-UHFFFAOYSA-N
XLogP16.72
TPSA339.52 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.99
LogP ≤ 516.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;2-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-5-pyridin-3-ylpyridine;2-propan-2-yl-5-pyridin-4-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-yl-7H-pyrrolo[3,4-b]pyridine
CID 159625555
5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 157473514
3-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 157685449
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-[4-[(1S,4S)-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperazin-1-yl]-2-pyridinyl]-5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 157896385
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-benzyl-2-(3-methylsulfonylphenyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(3-methylsulfonylphenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 158016965
3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 158054097
4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[(2R)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;4-N-(2-methoxyethyl)-4-N-methyl-2-N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyridine-2,4-diamine;N-[4-[4-(2-methoxyethyl)piperidin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 158437101
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
1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 159147107
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(C4=CCOCC4)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)n1.c1ccc(-c2ccn3nc(-c4ccn[nH]4)nc(NCc4ccccn4)c23)cc1.c1ccc(CNc2nc(C3CCCCC3)nn3ccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 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?
The InChIKey is BBSLYTHAUOWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4.C24H23N5O3S.C23H19N7O2S.C21H17N7/c1-4-10-19(11-5-1)18-26-25-23-22(20-12-6-2-7-13-20)16-17-29(23)28-24(27-25)21-14-8-3-9-15-21;1-33(30,31)20-13-19(15-25-16-20)23-27-24(26-14-17-5-3-2-4-6-17)22-21(7-10-29(22)28-23)18-8-11-32-12-9-18;1-33(31,32)20-15-24-14-19(27-20)22-28-23(26-13-17-9-5-6-11-25-17)21-18(10-12-30(21)29-22)16-7-3-2-4-8-16;1-2-6-15(7-3-1)17-10-13-28-19(17)21(23-14-16-8-4-5-11-22-16)25-20(27-28)18-9-12-24-26-18/h1-2,4-7,10-13,16-17,21H,3,8-9,14-15,18H2,(H,26,27,28);2-8,10,13,15-16H,9,11-12,14H2,1H3,(H,26,27,28);2-12,14-15H,13H2,1H3,(H,26,28,29);1-13H,14H2,(H,24,26)(H,23,25,27).
What are the key properties of 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?
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 has a molecular weight of 1668.99 g/mol, XLogP of 16.72, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157299428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).