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

C210H276N48 — CID 158046959

IUPAC7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine
SMILESC1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Nc1ncnn2c(C3CCc4ccccc4C3)nc(-c3ccccc3)c12.c1ccncc1.c1cn[nH]c1.c1cncnc1
InChIInChI=1S/C21H19N5.7C16H17N5.C9H8.3C8H7N.C5H5N.C4H4N2.C3H4N2.16C2H6/c22-20-19-18(15-7-2-1-3-8-15)25-21(26(19)24-13-23-20)17-11-10-14-6-4-5-9-16(14)12-17;7*1-10-14-15(17)18-9-19-21(14)16(20-10)13-7-6-11-4-2-3-5-12(11)8-13;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;16*1-2/h1-9,13,17H,10-12H2,(H2,22,23,24);7*2-5,9,13H,6-8H2,1H3,(H2,17,18,19);1-6H,7H2;1-4,6H,5H2;1-5H,6H2;1-4,6H,5H2;1-5H;1-4H;1-3H,(H,4,5);16*1-2H3
InChIKeyFJAMCZAQYVFKTR-UHFFFAOYSA-N
MW3472.85 g/mol
LogP45.52
Rot. Bonds9

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

7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine (PubChem CID 158046959) has the molecular formula C210H276N48 and a molecular weight of 3472.85 g/mol. Its IUPAC name is 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine.

Molecular Properties

Compound Name7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine
PubChem CID158046959
Molecular FormulaC210H276N48
Molecular Weight3472.85 g/mol
Exact Mass3470.31
IUPAC Name7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine
SMILESC1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Nc1ncnn2c(C3CCc4ccccc4C3)nc(-c3ccccc3)c12.c1ccncc1.c1cn[nH]c1.c1cncnc1
InChIInChI=1S/C21H19N5.7C16H17N5.C9H8.3C8H7N.C5H5N.C4H4N2.C3H4N2.16C2H6/c22-20-19-18(15-7-2-1-3-8-15)25-21(26(19)24-13-23-20)17-11-10-14-6-4-5-9-16(14)12-17;7*1-10-14-15(17)18-9-19-21(14)16(20-10)13-7-6-11-4-2-3-5-12(11)8-13;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;16*1-2/h1-9,13,17H,10-12H2,(H2,22,23,24);7*2-5,9,13H,6-8H2,1H3,(H2,17,18,19);1-6H,7H2;1-4,6H,5H2;1-5H,6H2;1-4,6H,5H2;1-5H;1-4H;1-3H,(H,4,5);16*1-2H3
InChIKeyFJAMCZAQYVFKTR-UHFFFAOYSA-N
XLogP45.52
TPSA657.76 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds9
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003472.85
LogP ≤ 545.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

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

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Frequently Asked Questions

What is the IUPAC name of 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine?
The IUPAC name of 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine (CID 158046959) is 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine.
What is the SMILES notation for 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine?
The canonical SMILES for 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine is C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Cc1nc(C2CCc3ccccc3C2)n2ncnc(N)c12.Nc1ncnn2c(C3CCc4ccccc4C3)nc(-c3ccccc3)c12.c1ccncc1.c1cn[nH]c1.c1cncnc1.
What is the InChIKey of 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine?
The InChIKey is FJAMCZAQYVFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5.7C16H17N5.C9H8.3C8H7N.C5H5N.C4H4N2.C3H4N2.16C2H6/c22-20-19-18(15-7-2-1-3-8-15)25-21(26(19)24-13-23-20)17-11-10-14-6-4-5-9-16(14)12-17;7*1-10-14-15(17)18-9-19-21(14)16(20-10)13-7-6-11-4-2-3-5-12(11)8-13;1-2-5-9-7-3-6-8(9)4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;16*1-2/h1-9,13,17H,10-12H2,(H2,22,23,24);7*2-5,9,13H,6-8H2,1H3,(H2,17,18,19);1-6H,7H2;1-4,6H,5H2;1-5H,6H2;1-4,6H,5H2;1-5H;1-4H;1-3H,(H,4,5);16*1-2H3.
What are the key properties of 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine?
7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine has a molecular weight of 3472.85 g/mol, XLogP of 45.52, 9 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclopenta[b]pyridine;ethane;1H-indene;3H-indole;1H-isoindole;heptakis(5-methyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine);5-phenyl-7-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine;1H-pyrazole;pyridine;pyrimidine is sourced from PubChem (CID 158046959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).