N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide

C117H112Cl3F10N11O8 — CID 159684749

IUPACN-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1.CCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.CCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc21.CCn1c(-c2ccc(F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)cnc21
InChIInChI=1S/C31H30ClF3N2O2.C30H28F5N3O2.C29H29ClFN3O2.C27H25ClFN3O2/c1-5-37-26-13-7-19(14-22(26)17-27(37)21-8-10-23(11-9-21)31(33,34)35)16-28(38)24-15-20(6-12-25(24)32)18-36-29(39)30(2,3)4;1-4-38-24-10-5-18(11-21(24)14-25(38)20-6-8-22(9-7-20)30(33,34)35)13-26(39)23-12-19(15-36-27(23)28(31)32)16-37-29(40)17(2)3;1-5-34-25(20-7-9-22(31)10-8-20)15-21-12-19(17-32-27(21)34)14-26(35)23-13-18(6-11-24(23)30)16-33-28(36)29(2,3)4;1-27(2,3)26(34)31-14-16-4-9-22(28)21(11-16)24(33)12-17-10-19-13-23(32-25(19)30-15-17)18-5-7-20(29)8-6-18/h6-15,17H,5,16,18H2,1-4H3,(H,36,39);5-12,14-15,17,28H,4,13,16H2,1-3H3,(H,37,40);6-13,15,17H,5,14,16H2,1-4H3,(H,33,36);4-11,13,15H,12,14H2,1-3H3,(H,30,32)(H,31,34)
InChIKeyMVQLQKMFTJSGKO-UHFFFAOYSA-N
MW2096.59 g/mol
LogP28.18
Rot. Bonds29

About N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide

N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide (PubChem CID 159684749) has the molecular formula C117H112Cl3F10N11O8 and a molecular weight of 2096.59 g/mol. Its IUPAC name is N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
PubChem CID159684749
Molecular FormulaC117H112Cl3F10N11O8
Molecular Weight2096.59 g/mol
Exact Mass2093.76
IUPAC NameN-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1.CCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.CCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc21.CCn1c(-c2ccc(F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)cnc21
InChIInChI=1S/C31H30ClF3N2O2.C30H28F5N3O2.C29H29ClFN3O2.C27H25ClFN3O2/c1-5-37-26-13-7-19(14-22(26)17-27(37)21-8-10-23(11-9-21)31(33,34)35)16-28(38)24-15-20(6-12-25(24)32)18-36-29(39)30(2,3)4;1-4-38-24-10-5-18(11-21(24)14-25(38)20-6-8-22(9-7-20)30(33,34)35)13-26(39)23-12-19(15-36-27(23)28(31)32)16-37-29(40)17(2)3;1-5-34-25(20-7-9-22(31)10-8-20)15-21-12-19(17-32-27(21)34)14-26(35)23-13-18(6-11-24(23)30)16-33-28(36)29(2,3)4;1-27(2,3)26(34)31-14-16-4-9-22(28)21(11-16)24(33)12-17-10-19-13-23(32-25(19)30-15-17)18-5-7-20(29)8-6-18/h6-15,17H,5,16,18H2,1-4H3,(H,36,39);5-12,14-15,17,28H,4,13,16H2,1-3H3,(H,37,40);6-13,15,17H,5,14,16H2,1-4H3,(H,33,36);4-11,13,15H,12,14H2,1-3H3,(H,30,32)(H,31,34)
InChIKeyMVQLQKMFTJSGKO-UHFFFAOYSA-N
XLogP28.18
TPSA253.93 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.59
LogP ≤ 528.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

3-[1-(2,6-dichlorobenzoyl)-5-(1H-indol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide
CID 70922942
CID 87691767
CID 87691767
(3-amino-2,6-difluorophenyl)-[1-(2,6-dichlorobenzoyl)-5-(1H-indol-5-yl)pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 89104101
[2,4-Dichloro-3-[[1,4-dimethyl-6-[1-(methylamino)ethenyl]indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[3,5-dichloro-4-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-2-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[(1,4,6-trimethylindol-3-yl)methyl]benzoyl]piperidin-4-yl]ethanone
CID 157530670
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-(1-ethylindol-5-yl)acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 157675599
N-[[5-[2-[2-(2-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157743557
[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 158124595
N-[[4-chloro-3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 158894912
N-[[4-chloro-3-[2-[2-(4-chlorophenyl)indazol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 159397430
N-butyl-2,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentyl-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159406274
1-[4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(3-methylbutanoyl)phenyl]urea;1-[2-fluoro-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-3-[3-(3-methylbutanoyl)phenyl]urea;1-[3-(3-methylbutanoyl)phenyl]-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)phenyl]urea
CID 160056327
2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-5-[ethyl(methyl)amino]-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3-methyl-N-(4-methylcyclohexyl)-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-[ethyl(methyl)amino]-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(4-fluoropiperidin-1-yl)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-5-(4-fluoropiperidin-1-yl)-3-methyl-N-(4-methylcyclohexyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 160465625

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide (CID 159684749) is N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide is CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1.CCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc21.CCn1c(-c2ccc(C(F)(F)F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc21.CCn1c(-c2ccc(F)cc2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)cnc21.
What is the InChIKey of N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
The InChIKey is MVQLQKMFTJSGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClF3N2O2.C30H28F5N3O2.C29H29ClFN3O2.C27H25ClFN3O2/c1-5-37-26-13-7-19(14-22(26)17-27(37)21-8-10-23(11-9-21)31(33,34)35)16-28(38)24-15-20(6-12-25(24)32)18-36-29(39)30(2,3)4;1-4-38-24-10-5-18(11-21(24)14-25(38)20-6-8-22(9-7-20)30(33,34)35)13-26(39)23-12-19(15-36-27(23)28(31)32)16-37-29(40)17(2)3;1-5-34-25(20-7-9-22(31)10-8-20)15-21-12-19(17-32-27(21)34)14-26(35)23-13-18(6-11-24(23)30)16-33-28(36)29(2,3)4;1-27(2,3)26(34)31-14-16-4-9-22(28)21(11-16)24(33)12-17-10-19-13-23(32-25(19)30-15-17)18-5-7-20(29)8-6-18/h6-15,17H,5,16,18H2,1-4H3,(H,36,39);5-12,14-15,17,28H,4,13,16H2,1-3H3,(H,37,40);6-13,15,17H,5,14,16H2,1-4H3,(H,33,36);4-11,13,15H,12,14H2,1-3H3,(H,30,32)(H,31,34).
What are the key properties of N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide has a molecular weight of 2096.59 g/mol, XLogP of 28.18, 29 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[2-[1-ethyl-2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 159684749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).