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

C137H127ClFN25O15 — CID 158558695

IUPAC2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(Cl)c(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cccc(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/2C28H27N5O3.C27H24ClN5O3.C27H24FN5O3.C27H25N5O3/c2*1-17-4-5-19(16-23(17)28(34)35)24-25(21-10-12-29-27-22(21)11-13-30-27)32-26(31-24)18-6-8-20(9-7-18)36-15-14-33(2)3;2*1-33(2)13-14-36-18-6-3-16(4-7-18)25-31-23(17-5-8-22(28)21(15-17)27(34)35)24(32-25)19-9-11-29-26-20(19)10-12-30-26;1-32(2)14-15-35-20-8-6-17(7-9-20)25-30-23(18-4-3-5-19(16-18)27(33)34)24(31-25)21-10-12-28-26-22(21)11-13-29-26/h2*4-13,16H,14-15H2,1-3H3,(H,29,30)(H,31,32)(H,34,35);2*3-12,15H,13-14H2,1-2H3,(H,29,30)(H,31,32)(H,34,35);3-13,16H,14-15H2,1-2H3,(H,28,29)(H,30,31)(H,33,34)
InChIKeyHQPNIWJLHRLTFU-UHFFFAOYSA-N
MW2418.13 g/mol
LogP26.04
Rot. Bonds40

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

2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid) (PubChem CID 158558695) has the molecular formula C137H127ClFN25O15 and a molecular weight of 2418.13 g/mol. Its IUPAC name is 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid).

Molecular Properties

Compound Name2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)
PubChem CID158558695
Molecular FormulaC137H127ClFN25O15
Molecular Weight2418.13 g/mol
Exact Mass2415.96
IUPAC Name2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc(Cl)c(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cccc(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O
InChIInChI=1S/2C28H27N5O3.C27H24ClN5O3.C27H24FN5O3.C27H25N5O3/c2*1-17-4-5-19(16-23(17)28(34)35)24-25(21-10-12-29-27-22(21)11-13-30-27)32-26(31-24)18-6-8-20(9-7-18)36-15-14-33(2)3;2*1-33(2)13-14-36-18-6-3-16(4-7-18)25-31-23(17-5-8-22(28)21(15-17)27(34)35)24(32-25)19-9-11-29-26-20(19)10-12-30-26;1-32(2)14-15-35-20-8-6-17(7-9-20)25-30-23(18-4-3-5-19(16-18)27(33)34)24(31-25)21-10-12-28-26-22(21)11-13-29-26/h2*4-13,16H,14-15H2,1-3H3,(H,29,30)(H,31,32)(H,34,35);2*3-12,15H,13-14H2,1-2H3,(H,29,30)(H,31,32)(H,34,35);3-13,16H,14-15H2,1-2H3,(H,28,29)(H,30,31)(H,33,34)
InChIKeyHQPNIWJLHRLTFU-UHFFFAOYSA-N
XLogP26.04
TPSA535.65 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002418.13
LogP ≤ 526.04
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

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

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Related Compounds

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CID 157219165
2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(2-fluoro-6-methyl-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
CID 157387910
5-(4-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluoro-4-methylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158413761
5-(2-butoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluoro-4-methylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158715491
N-benzyl-3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]benzamide;N-[(2-chlorophenyl)methyl]-3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-pyridin-3-ylbenzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 160111933
3-[(1S)-1-aminoethyl]-8-chloro-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one;8-chloro-2-[(4-methoxyphenyl)methyl]-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]isoquinolin-1-one;6-chloro-9-(oxan-2-yl)purine;2-[(4-methoxyphenyl)methyl]-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]-8-pyridin-3-ylisoquinolin-1-one;3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-8-pyridin-3-yl-2H-isoquinolin-1-one;pyridin-3-ylboronic acid;2,2,2-trifluoroacetic acid
CID 161296769
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide;1-[4-(imidazo[1,2-a]pyrazin-3-ylmethyl)phenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenoxy]propan-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenoxy]propan-2-one
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2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
CID 68273793
4-chloro-3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
CID 68273795
2-chloro-3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid
CID 68273796
3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
CID 68273801
3-[4-[2-[[2-[4-[5-(3-carboxy-2-chlorophenyl)-4-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethyl-methylamino]methyl]-4-pyridinyl]-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-imidazol-5-yl]-2-methylbenzoic acid
CID 123172931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)?
The IUPAC name of 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid) (CID 158558695) is 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid).
What is the SMILES notation for 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)?
The canonical SMILES for 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid) is CN(C)CCOc1ccc(-c2nc(-c3ccc(Cl)c(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cccc(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O.
What is the InChIKey of 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)?
The InChIKey is HQPNIWJLHRLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5O3.C27H24ClN5O3.C27H24FN5O3.C27H25N5O3/c2*1-17-4-5-19(16-23(17)28(34)35)24-25(21-10-12-29-27-22(21)11-13-30-27)32-26(31-24)18-6-8-20(9-7-18)36-15-14-33(2)3;2*1-33(2)13-14-36-18-6-3-16(4-7-18)25-31-23(17-5-8-22(28)21(15-17)27(34)35)24(32-25)19-9-11-29-26-20(19)10-12-30-26;1-32(2)14-15-35-20-8-6-17(7-9-20)25-30-23(18-4-3-5-19(16-18)27(33)34)24(31-25)21-10-12-28-26-22(21)11-13-29-26/h2*4-13,16H,14-15H2,1-3H3,(H,29,30)(H,31,32)(H,34,35);2*3-12,15H,13-14H2,1-2H3,(H,29,30)(H,31,32)(H,34,35);3-13,16H,14-15H2,1-2H3,(H,28,29)(H,30,31)(H,33,34).
What are the key properties of 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)?
2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid) has a molecular weight of 2418.13 g/mol, XLogP of 26.04, 40 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid) is sourced from PubChem (CID 158558695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).