5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

C113H88F12N18O8 — CID 157493857

IUPAC5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H25F3N4O2.C29H23F3N4O2.2C27H20F3N5O2/c1-18-8-11-20(12-9-18)36-27(38)22-16-19(10-13-23(22)30(31,32)33)21-6-4-7-24-26(21)29(2,3)28(39)37(24)17-25-34-14-5-15-35-25;1-17-7-10-19(11-8-17)35-26(37)21-16-18(9-12-22(21)29(30,31)32)20-13-15-34-25-24(20)28(2,3)27(38)36(25)23-6-4-5-14-33-23;2*1-26(2)22-18(7-3-8-21(22)35(24(26)37)25-32-12-5-13-33-25)16-9-10-20(27(28,29)30)19(14-16)23(36)34-17-6-4-11-31-15-17/h4-16H,17H2,1-3H3,(H,36,38);4-16H,1-3H3,(H,35,37);2*3-15H,1-2H3,(H,34,36)
InChIKeyBXPARRRAJZGKJG-UHFFFAOYSA-N
MW2054.04 g/mol
LogP24.76
Rot. Bonds17

About 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 157493857) has the molecular formula C113H88F12N18O8 and a molecular weight of 2054.04 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID157493857
Molecular FormulaC113H88F12N18O8
Molecular Weight2054.04 g/mol
Exact Mass2052.68
IUPAC Name5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H25F3N4O2.C29H23F3N4O2.2C27H20F3N5O2/c1-18-8-11-20(12-9-18)36-27(38)22-16-19(10-13-23(22)30(31,32)33)21-6-4-7-24-26(21)29(2,3)28(39)37(24)17-25-34-14-5-15-35-25;1-17-7-10-19(11-8-17)35-26(37)21-16-18(9-12-22(21)29(30,31)32)20-13-15-34-25-24(20)28(2,3)27(38)36(25)23-6-4-5-14-33-23;2*1-26(2)22-18(7-3-8-21(22)35(24(26)37)25-32-12-5-13-33-25)16-9-10-20(27(28,29)30)19(14-16)23(36)34-17-6-4-11-31-15-17/h4-16H,17H2,1-3H3,(H,36,38);4-16H,1-3H3,(H,35,37);2*3-15H,1-2H3,(H,34,36)
InChIKeyBXPARRRAJZGKJG-UHFFFAOYSA-N
XLogP24.76
TPSA326.54 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002054.04
LogP ≤ 524.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

US11203591, Example 61
CID 153578670
US11203591, Example 164
CID 153578762
US11203591, Example 157
CID 153578855
US11203591, Example 62
CID 153578892
US11203591, Example 158
CID 153579054
US11203591, Example 162
CID 153579164
N-[3-[7-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 145972836
N-[5-[[3-imidazol-1-yl-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-prop-1-en-2-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 60022477
3-[2-(3H-imidazo[4,5-c]pyridin-7-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 87616950
CID 87761878
CID 87761878
N-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylbenzamide
CID 88876163
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 88996442

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 157493857) is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is BXPARRRAJZGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O2.C29H23F3N4O2.2C27H20F3N5O2/c1-18-8-11-20(12-9-18)36-27(38)22-16-19(10-13-23(22)30(31,32)33)21-6-4-7-24-26(21)29(2,3)28(39)37(24)17-25-34-14-5-15-35-25;1-17-7-10-19(11-8-17)35-26(37)21-16-18(9-12-22(21)29(30,31)32)20-13-15-34-25-24(20)28(2,3)27(38)36(25)23-6-4-5-14-33-23;2*1-26(2)22-18(7-3-8-21(22)35(24(26)37)25-32-12-5-13-33-25)16-9-10-20(27(28,29)30)19(14-16)23(36)34-17-6-4-11-31-15-17/h4-16H,17H2,1-3H3,(H,36,38);4-16H,1-3H3,(H,35,37);2*3-15H,1-2H3,(H,34,36).
What are the key properties of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 2054.04 g/mol, XLogP of 24.76, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide);5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 157493857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).