1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine

C206H272N52 — CID 158090293

IUPAC1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Nc1ncnn2c(C3CCCc4ccccc43)nc(-c3ccccc3)c12.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cncnc1
InChIInChI=1S/C21H19N5.7C16H17N5.C8H7N.3C7H6N2.C5H5N.C4H4N2.C3H4N2.16C2H6/c22-20-19-18(15-8-2-1-3-9-15)25-21(26(19)24-13-23-20)17-12-6-10-14-7-4-5-11-16(14)17;7*1-10-14-15(17)18-9-19-21(14)16(20-10)13-8-4-6-11-5-2-3-7-12(11)13;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;16*1-2/h1-5,7-9,11,13,17H,6,10,12H2,(H2,22,23,24);7*2-3,5,7,9,13H,4,6,8H2,1H3,(H2,17,18,19);1-6,9H;3*1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,4,5);16*1-2H3
InChIKeyFOADUZDROVBQRP-UHFFFAOYSA-N
MW3476.81 g/mol
LogP46.47
Rot. Bonds9

About 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine

1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158090293) has the molecular formula C206H272N52 and a molecular weight of 3476.81 g/mol. Its IUPAC name is 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine
PubChem CID158090293
Molecular FormulaC206H272N52
Molecular Weight3476.81 g/mol
Exact Mass3474.29
IUPAC Name1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Nc1ncnn2c(C3CCCc4ccccc43)nc(-c3ccccc3)c12.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cncnc1
InChIInChI=1S/C21H19N5.7C16H17N5.C8H7N.3C7H6N2.C5H5N.C4H4N2.C3H4N2.16C2H6/c22-20-19-18(15-8-2-1-3-9-15)25-21(26(19)24-13-23-20)17-12-6-10-14-7-4-5-11-16(14)17;7*1-10-14-15(17)18-9-19-21(14)16(20-10)13-8-4-6-11-5-2-3-7-12(11)13;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;16*1-2/h1-5,7-9,11,13,17H,6,10,12H2,(H2,22,23,24);7*2-3,5,7,9,13H,4,6,8H2,1H3,(H2,17,18,19);1-6,9H;3*1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,4,5);16*1-2H3
InChIKeyFOADUZDROVBQRP-UHFFFAOYSA-N
XLogP46.47
TPSA721.98 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds9
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003476.81
LogP ≤ 546.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Analyze 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine (CID 158090293) is 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Cc1nc(C2CCCc3ccccc32)n2ncnc(N)c12.Nc1ncnn2c(C3CCCc4ccccc43)nc(-c3ccccc3)c12.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2[nH]ccc2c1.c1cncnc1.
What is the InChIKey of 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FOADUZDROVBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5.7C16H17N5.C8H7N.3C7H6N2.C5H5N.C4H4N2.C3H4N2.16C2H6/c22-20-19-18(15-8-2-1-3-9-15)25-21(26(19)24-13-23-20)17-12-6-10-14-7-4-5-11-16(14)17;7*1-10-14-15(17)18-9-19-21(14)16(20-10)13-8-4-6-11-5-2-3-7-12(11)13;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;16*1-2/h1-5,7-9,11,13,17H,6,10,12H2,(H2,22,23,24);7*2-3,5,7,9,13H,4,6,8H2,1H3,(H2,17,18,19);1-6,9H;3*1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,4,5);16*1-2H3.
What are the key properties of 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine?
1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3476.81 g/mol, XLogP of 46.47, 9 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;ethane;1H-indazole;1H-indole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158090293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).