cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate

C102H89N13O11 — CID 159113527

IUPACcyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(OC1CCCCC1)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(c1cccc(N2CCOCC2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O3.C18H17N3O2.C18H16N2O3.3C15H12N2O/c24-20(16-13-22-17-10-5-4-9-15(16)17)18-11-6-12-19(23-18)21(25)26-14-7-2-1-3-8-14;22-18(14-12-19-15-5-2-1-4-13(14)15)16-6-3-7-17(20-16)21-8-10-23-11-9-21;1-11(2)23-18(22)16-9-5-8-15(20-16)17(21)13-10-19-14-7-4-3-6-12(13)14;3*1-10-5-4-8-14(17-10)15(18)12-9-16-13-7-3-2-6-11(12)13/h4-6,9-14,22H,1-3,7-8H2;1-7,12,19H,8-11H2;3-11,19H,1-2H3;3*2-9,16H,1H3
InChIKeyKEUHLRQYMCSWNS-UHFFFAOYSA-N
MW1672.91 g/mol
LogP19.58
Rot. Bonds17

About cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate

cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate (PubChem CID 159113527) has the molecular formula C102H89N13O11 and a molecular weight of 1672.91 g/mol. Its IUPAC name is cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
PubChem CID159113527
Molecular FormulaC102H89N13O11
Molecular Weight1672.91 g/mol
Exact Mass1671.68
IUPAC Namecyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(OC1CCCCC1)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(c1cccc(N2CCOCC2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O3.C18H17N3O2.C18H16N2O3.3C15H12N2O/c24-20(16-13-22-17-10-5-4-9-15(16)17)18-11-6-12-19(23-18)21(25)26-14-7-2-1-3-8-14;22-18(14-12-19-15-5-2-1-4-13(14)15)16-6-3-7-17(20-16)21-8-10-23-11-9-21;1-11(2)23-18(22)16-9-5-8-15(20-16)17(21)13-10-19-14-7-4-3-6-12(13)14;3*1-10-5-4-8-14(17-10)15(18)12-9-16-13-7-3-2-6-11(12)13/h4-6,9-14,22H,1-3,7-8H2;1-7,12,19H,8-11H2;3-11,19H,1-2H3;3*2-9,16H,1H3
InChIKeyKEUHLRQYMCSWNS-UHFFFAOYSA-N
XLogP19.58
TPSA339.57 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001672.91
LogP ≤ 519.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate with MolForge

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Related Compounds

[2-(1H-indol-6-yl)-3-[2-[1-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethynyl]benzoyl] 2-(1H-indol-6-yl)-3-[2-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-5-yl]ethynyl]benzoate
CID 135360428
Tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole
CID 157344956
1,3-Bis(7-phenylimidazo[1,5-a]pyridin-5-yl)propan-2-one;methyl 6-(aminomethyl)-4-phenylpyridine-2-carboxylate;methyl 6-(3-oxopropyl)-4-phenylpyridine-2-carboxylate;methyl 7-phenylimidazo[1,5-a]pyridine-5-carboxylate;7-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 157929061
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbaldehyde;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-(1H-indol-2-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 157986425
ethyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;6-(1H-indole-3-carbonyl)-N,N-dimethylpyridine-2-carboxamide;1-[6-(1H-indole-3-carbonyl)-2-pyridinyl]ethanone;1H-indol-3-yl-(6-methoxy-2-pyridinyl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;methyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 158073500
bis(tert-butyl N-[4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butyl]carbamate);6,7-dihydro-5H-quinolin-8-one;bis(ethyl 9H-pyrido[3,4-b]indole-1-carboxylate);2-(1H-indol-3-yl)ethanamine;bis(9H-pyrido[3,4-b]indole-1-carbaldehyde);hydrochloride
CID 158685459
5-(3-benzylpyrrolidin-3-yl)-N,N-dimethyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-butylpyrrolidin-3-yl)-1H-indole;ethyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate;5-(3-propylpyrrolidin-3-yl)-1H-indole
CID 159082798
1-[4-[2-(aminomethyl)morpholin-4-yl]-9H-pyrimido[4,5-b]indol-7-yl]ethanone;methyl 4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]-9H-pyrimido[4,5-b]indole-7-carboxylate;N'-(7-methyl-9H-pyrimido[4,5-b]indol-4-yl)ethane-1,2-diamine;[4-(7-methyl-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine;1-(7-methyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-amine;[1-(7-methyl-9H-pyrimido[4,5-b]indol-4-yl)piperidin-4-yl]methanamine;N'-(7-methyl-9H-pyrimido[4,5-b]indol-4-yl)propane-1,3-diamine
CID 159319857
3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;ethyl 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 159414746
tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)
CID 159439242
tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tris(pyridine-2-carboxylic acid);bis(9-pyridin-2-yl-1H-carbazol-1-ide)
CID 159711412
(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;bis((5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate);indol-1-ylmethyl 1-methylpyridin-1-ium-3-carboxylate;tris(methyl 1-[(1-methylpyridin-1-ium-3-carbonyl)oxymethyl]indole-2-carboxylate)
CID 159749937

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate (CID 159113527) is cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(OC1CCCCC1)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.O=C(c1cccc(N2CCOCC2)n1)c1c[nH]c2ccccc12.
What is the InChIKey of cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is KEUHLRQYMCSWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3.C18H17N3O2.C18H16N2O3.3C15H12N2O/c24-20(16-13-22-17-10-5-4-9-15(16)17)18-11-6-12-19(23-18)21(25)26-14-7-2-1-3-8-14;22-18(14-12-19-15-5-2-1-4-13(14)15)16-6-3-7-17(20-16)21-8-10-23-11-9-21;1-11(2)23-18(22)16-9-5-8-15(20-16)17(21)13-10-19-14-7-4-3-6-12(13)14;3*1-10-5-4-8-14(17-10)15(18)12-9-16-13-7-3-2-6-11(12)13/h4-6,9-14,22H,1-3,7-8H2;1-7,12,19H,8-11H2;3-11,19H,1-2H3;3*2-9,16H,1H3.
What are the key properties of cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 1672.91 g/mol, XLogP of 19.58, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate;tris(1H-indol-3-yl-(6-methyl-2-pyridinyl)methanone);1H-indol-3-yl-(6-morpholin-4-yl-2-pyridinyl)methanone;propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 159113527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).