methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide

C74H61F9N16O9S3 — CID 159744011

IUPACmethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)N=CC2)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CC(NC(=O)c1cc2c(cn1)ncn2CC(=O)O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.COC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21.O=C(O)c1cc2c(cn1)N=CC2
InChIInChI=1S/C23H20F3N5O3S.C22H18F3N5O3S.C21H17F3N4OS.C8H6N2O2/c1-13(19-10-28-20(35-19)7-14-3-5-15(6-4-14)23(24,25)26)30-22(33)16-8-18-17(9-27-16)29-12-31(18)11-21(32)34-2;1-12(18-9-27-19(34-18)6-13-2-4-14(5-3-13)22(23,24)25)29-21(33)15-7-17-16(8-26-15)28-11-30(17)10-20(31)32;1-12(28-20(29)16-9-14-6-7-25-17(14)10-26-16)18-11-27-19(30-18)8-13-2-4-15(5-3-13)21(22,23)24;11-8(12)6-3-5-1-2-9-7(5)4-10-6/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,30,33);2-5,7-9,11-12H,6,10H2,1H3,(H,29,33)(H,31,32);2-5,7,9-12H,6,8H2,1H3,(H,28,29);2-4H,1H2,(H,11,12)
InChIKeyNCUWSFBKAXPKNS-UHFFFAOYSA-N
MW1585.59 g/mol
LogP14.17
Rot. Bonds20

About methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide

methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 159744011) has the molecular formula C74H61F9N16O9S3 and a molecular weight of 1585.59 g/mol. Its IUPAC name is methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Namemethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID159744011
Molecular FormulaC74H61F9N16O9S3
Molecular Weight1585.59 g/mol
Exact Mass1584.38
IUPAC Namemethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)N=CC2)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CC(NC(=O)c1cc2c(cn1)ncn2CC(=O)O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.COC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21.O=C(O)c1cc2c(cn1)N=CC2
InChIInChI=1S/C23H20F3N5O3S.C22H18F3N5O3S.C21H17F3N4OS.C8H6N2O2/c1-13(19-10-28-20(35-19)7-14-3-5-15(6-4-14)23(24,25)26)30-22(33)16-8-18-17(9-27-16)29-12-31(18)11-21(32)34-2;1-12(18-9-27-19(34-18)6-13-2-4-14(5-3-13)22(23,24)25)29-21(33)15-7-17-16(8-26-15)28-11-30(17)10-20(31)32;1-12(28-20(29)16-9-14-6-7-25-17(14)10-26-16)18-11-27-19(30-18)8-13-2-4-15(5-3-13)21(22,23)24;11-8(12)6-3-5-1-2-9-7(5)4-10-6/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,30,33);2-5,7-9,11-12H,6,10H2,1H3,(H,29,33)(H,31,32);2-5,7,9-12H,6,8H2,1H3,(H,28,29);2-4H,1H2,(H,11,12)
InChIKeyNCUWSFBKAXPKNS-UHFFFAOYSA-N
XLogP14.17
TPSA338.79 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.59
LogP ≤ 514.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 158027091
2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate
CID 158967696
1-[(2-amino-4-pyridinyl)methyl]-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-(pyridin-3-ylmethyl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 161984838
1-(2-amino-2-oxoethyl)-N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide;ethyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate
CID 162187348
CID 160386853
CID 160386853
(9S)-5-[2-(difluoromethyl)-4-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(5-fluoro-2-methyl-4-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[2-(hydroxymethyl)-4-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;methyl 4-[(9S)-8-(pyrazin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl]pyridine-2-carboxylate;(9S)-5-(2-methyl-1,3-thiazol-5-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 160402919
CID 162172745
CID 162172745
2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate
CID 167645555

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide (CID 159744011) is methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide is CC(NC(=O)c1cc2c(cn1)N=CC2)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.CC(NC(=O)c1cc2c(cn1)ncn2CC(=O)O)c1cnc(Cc2ccc(C(F)(F)F)cc2)s1.COC(=O)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Cc4ccc(C(F)(F)F)cc4)s3)cc21.O=C(O)c1cc2c(cn1)N=CC2.
What is the InChIKey of methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is NCUWSFBKAXPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3S.C22H18F3N5O3S.C21H17F3N4OS.C8H6N2O2/c1-13(19-10-28-20(35-19)7-14-3-5-15(6-4-14)23(24,25)26)30-22(33)16-8-18-17(9-27-16)29-12-31(18)11-21(32)34-2;1-12(18-9-27-19(34-18)6-13-2-4-14(5-3-13)22(23,24)25)29-21(33)15-7-17-16(8-26-15)28-11-30(17)10-20(31)32;1-12(28-20(29)16-9-14-6-7-25-17(14)10-26-16)18-11-27-19(30-18)8-13-2-4-15(5-3-13)21(22,23)24;11-8(12)6-3-5-1-2-9-7(5)4-10-6/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,30,33);2-5,7-9,11-12H,6,10H2,1H3,(H,29,33)(H,31,32);2-5,7,9-12H,6,8H2,1H3,(H,28,29);2-4H,1H2,(H,11,12).
What are the key properties of methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide?
methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 1585.59 g/mol, XLogP of 14.17, 20 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159744011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).