3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

C107H106ClF2N25O10 — CID 159687924

IUPAC3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
SMILESCN(C)CCc1nc(-c2cc(Cl)cc(C(=O)O)c2)c(-c2ccnc3[nH]ccc23)[nH]1.CN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2ccnc3[nH]ccc23)[nH]1.CN(C)CCc1nc(-c2ccnc3[nH]ccc23)c(-c2cccc(C(=O)O)c2F)[nH]1.Cc1cc(C(=O)O)cc(-c2nc(CCN(C)C)[nH]c2-c2ccnc3[nH]ccc23)c1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/2C22H23N5O2.C21H20ClN5O2.2C21H20FN5O2/c1-13-10-14(12-15(11-13)22(28)29)19-20(26-18(25-19)6-9-27(2)3)16-4-7-23-21-17(16)5-8-24-21;1-13-4-5-14(12-17(13)22(28)29)19-20(26-18(25-19)8-11-27(2)3)15-6-9-23-21-16(15)7-10-24-21;2*1-27(2)8-5-17-25-18(12-9-13(21(28)29)11-14(22)10-12)19(26-17)15-3-6-23-20-16(15)4-7-24-20;1-27(2)11-8-16-25-18(12-6-9-23-20-13(12)7-10-24-20)19(26-16)14-4-3-5-15(17(14)22)21(28)29/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,23,24)(H,25,26)(H,28,29);4-7,9-10,12H,8,11H2,1-3H3,(H,23,24)(H,25,26)(H,28,29);2*3-4,6-7,9-11H,5,8H2,1-2H3,(H,23,24)(H,25,26)(H,28,29);3-7,9-10H,8,11H2,1-2H3,(H,23,24)(H,25,26)(H,28,29)
InChIKeyMWAOIUFJWQLTTB-UHFFFAOYSA-N
MW1975.64 g/mol
LogP18.66
Rot. Bonds30

About 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (PubChem CID 159687924) has the molecular formula C107H106ClF2N25O10 and a molecular weight of 1975.64 g/mol. Its IUPAC name is 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
PubChem CID159687924
Molecular FormulaC107H106ClF2N25O10
Molecular Weight1975.64 g/mol
Exact Mass1973.82
IUPAC Name3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
SMILESCN(C)CCc1nc(-c2cc(Cl)cc(C(=O)O)c2)c(-c2ccnc3[nH]ccc23)[nH]1.CN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2ccnc3[nH]ccc23)[nH]1.CN(C)CCc1nc(-c2ccnc3[nH]ccc23)c(-c2cccc(C(=O)O)c2F)[nH]1.Cc1cc(C(=O)O)cc(-c2nc(CCN(C)C)[nH]c2-c2ccnc3[nH]ccc23)c1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/2C22H23N5O2.C21H20ClN5O2.2C21H20FN5O2/c1-13-10-14(12-15(11-13)22(28)29)19-20(26-18(25-19)6-9-27(2)3)16-4-7-23-21-17(16)5-8-24-21;1-13-4-5-14(12-17(13)22(28)29)19-20(26-18(25-19)8-11-27(2)3)15-6-9-23-21-16(15)7-10-24-21;2*1-27(2)8-5-17-25-18(12-9-13(21(28)29)11-14(22)10-12)19(26-17)15-3-6-23-20-16(15)4-7-24-20;1-27(2)11-8-16-25-18(12-6-9-23-20-13(12)7-10-24-20)19(26-16)14-4-3-5-15(17(14)22)21(28)29/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,23,24)(H,25,26)(H,28,29);4-7,9-10,12H,8,11H2,1-3H3,(H,23,24)(H,25,26)(H,28,29);2*3-4,6-7,9-11H,5,8H2,1-2H3,(H,23,24)(H,25,26)(H,28,29);3-7,9-10H,8,11H2,1-2H3,(H,23,24)(H,25,26)(H,28,29)
InChIKeyMWAOIUFJWQLTTB-UHFFFAOYSA-N
XLogP18.66
TPSA489.50 Ų
H-Bond Donors15
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001975.64
LogP ≤ 518.66
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1020

Analyze 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic 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

3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-(trifluoromethyl)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoate;4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid;molecular hydrogen;1H-pyrrolo[2,3-b]pyridine
CID 157469514
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine;2-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-2-ylethyl)-7H-purin-6-amine;N-[2-[4-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 157755552
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid
CID 157797980
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158545391
1-(4-Methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158724422
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-fluorophenyl)indole-4-carboxylic acid;4-(3-methylindol-1-yl)benzoic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158801024
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158884022
(6-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;methane;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanone;3-[[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[4-(trifluoromethyl)phenyl]methanamine
CID 158927257
1-(2-Methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyrazin-2-ylindole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159053315
Sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
CID 159238862
2-[4-[[6-[3,5-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-N-ethylanilino]ethanol;6-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;N-[4-[(6-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetamide;4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
CID 159239632
1-(2-Methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 159500266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
The IUPAC name of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (CID 159687924) is 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.
What is the SMILES notation for 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
The canonical SMILES for 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is CN(C)CCc1nc(-c2cc(Cl)cc(C(=O)O)c2)c(-c2ccnc3[nH]ccc23)[nH]1.CN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2ccnc3[nH]ccc23)[nH]1.CN(C)CCc1nc(-c2ccnc3[nH]ccc23)c(-c2cccc(C(=O)O)c2F)[nH]1.Cc1cc(C(=O)O)cc(-c2nc(CCN(C)C)[nH]c2-c2ccnc3[nH]ccc23)c1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O.
What is the InChIKey of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
The InChIKey is MWAOIUFJWQLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N5O2.C21H20ClN5O2.2C21H20FN5O2/c1-13-10-14(12-15(11-13)22(28)29)19-20(26-18(25-19)6-9-27(2)3)16-4-7-23-21-17(16)5-8-24-21;1-13-4-5-14(12-17(13)22(28)29)19-20(26-18(25-19)8-11-27(2)3)15-6-9-23-21-16(15)7-10-24-21;2*1-27(2)8-5-17-25-18(12-9-13(21(28)29)11-14(22)10-12)19(26-17)15-3-6-23-20-16(15)4-7-24-20;1-27(2)11-8-16-25-18(12-6-9-23-20-13(12)7-10-24-20)19(26-16)14-4-3-5-15(17(14)22)21(28)29/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,23,24)(H,25,26)(H,28,29);4-7,9-10,12H,8,11H2,1-3H3,(H,23,24)(H,25,26)(H,28,29);2*3-4,6-7,9-11H,5,8H2,1-2H3,(H,23,24)(H,25,26)(H,28,29);3-7,9-10H,8,11H2,1-2H3,(H,23,24)(H,25,26)(H,28,29).
What are the key properties of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid has a molecular weight of 1975.64 g/mol, XLogP of 18.66, 30 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is sourced from PubChem (CID 159687924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).