3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid

C92H86ClCuN11O6S — CID 158752089

IUPAC3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid
SMILESCCOC(=O)C1CCCCC1.CCOC(=O)C1CCN(c2cc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(-c5cnn(C)c5)cc34)ccn2)CC1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.O=C(O)c1cccs1.[Cu]
InChIInChI=1S/C43H40N6O2.C35H26ClN5.C9H16O2.C5H4O2S.Cu/c1-3-51-42(50)31-22-25-48(26-23-31)40-28-33(21-24-44-40)41-38-27-32(34-29-45-47(2)30-34)19-20-39(38)49(46-41)43(35-13-7-4-8-14-35,36-15-9-5-10-16-36)37-17-11-6-12-18-37;1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-2-11-9(10)8-6-4-3-5-7-8;6-5(7)4-2-1-3-8-4;/h4-21,24,27-31H,3,22-23,25-26H2,1-2H3;2-24H,1H3;8H,2-7H2,1H3;1-3H,(H,6,7);
InChIKeyYGFKLUQKISEGJP-UHFFFAOYSA-N
MW1572.84 g/mol
LogP19.68
Rot. Bonds18

About 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid

3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid (PubChem CID 158752089) has the molecular formula C92H86ClCuN11O6S and a molecular weight of 1572.84 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid
PubChem CID158752089
Molecular FormulaC92H86ClCuN11O6S
Molecular Weight1572.84 g/mol
Exact Mass1570.55
IUPAC Name3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid
SMILESCCOC(=O)C1CCCCC1.CCOC(=O)C1CCN(c2cc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(-c5cnn(C)c5)cc34)ccn2)CC1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.O=C(O)c1cccs1.[Cu]
InChIInChI=1S/C43H40N6O2.C35H26ClN5.C9H16O2.C5H4O2S.Cu/c1-3-51-42(50)31-22-25-48(26-23-31)40-28-33(21-24-44-40)41-38-27-32(34-29-45-47(2)30-34)19-20-39(38)49(46-41)43(35-13-7-4-8-14-35,36-15-9-5-10-16-36)37-17-11-6-12-18-37;1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-2-11-9(10)8-6-4-3-5-7-8;6-5(7)4-2-1-3-8-4;/h4-21,24,27-31H,3,22-23,25-26H2,1-2H3;2-24H,1H3;8H,2-7H2,1H3;1-3H,(H,6,7);
InChIKeyYGFKLUQKISEGJP-UHFFFAOYSA-N
XLogP19.68
TPSA190.20 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001572.84
LogP ≤ 519.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid 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

5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;5-(1-methylpyrazol-4-yl)-1H-isoindole;thiophene-2-carboxylic acid
CID 161484539
1-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]piperidin-4-ol
CID 118655258
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477110
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
N-[5-(4-fluorophenyl)-1-tritylindazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208403
ethyl 1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate
CID 135240865
(3S)-3-[[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylic acid
CID 170170326
6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine
CID 162148195
ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
CID 156801017
tert-butyl (3R)-3-[[5-(4-amino-2-chlorophenyl)-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 169207941
tert-butyl (3R)-3-[[5-[2-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]-1-tritylindazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 169208590

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid?
The IUPAC name of 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid (CID 158752089) is 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid is CCOC(=O)C1CCCCC1.CCOC(=O)C1CCN(c2cc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(-c5cnn(C)c5)cc34)ccn2)CC1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.O=C(O)c1cccs1.[Cu].
What is the InChIKey of 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid?
The InChIKey is YGFKLUQKISEGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N6O2.C35H26ClN5.C9H16O2.C5H4O2S.Cu/c1-3-51-42(50)31-22-25-48(26-23-31)40-28-33(21-24-44-40)41-38-27-32(34-29-45-47(2)30-34)19-20-39(38)49(46-41)43(35-13-7-4-8-14-35,36-15-9-5-10-16-36)37-17-11-6-12-18-37;1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-2-11-9(10)8-6-4-3-5-7-8;6-5(7)4-2-1-3-8-4;/h4-21,24,27-31H,3,22-23,25-26H2,1-2H3;2-24H,1H3;8H,2-7H2,1H3;1-3H,(H,6,7);.
What are the key properties of 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid?
3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid has a molecular weight of 1572.84 g/mol, XLogP of 19.68, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;copper;ethyl cyclohexanecarboxylate;ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;thiophene-2-carboxylic acid is sourced from PubChem (CID 158752089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).