2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide

C28H21F3N4O2 — CID 146555658

IUPAC2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(Oc2cc(-c3cccnc3)nc3c2ccn3C)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H21F3N4O2/c1-17-8-9-21(14-23(17)27(36)33-20-7-3-6-19(13-20)28(29,30)31)37-25-15-24(18-5-4-11-32-16-18)34-26-22(25)10-12-35(26)2/h3-16H,1-2H3,(H,33,36)
InChIKeyNKNJDGQLXWDAEV-UHFFFAOYSA-N
MW502.50 g/mol
LogP7.01
Rot. Bonds5

About 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide

2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 146555658) has the molecular formula C28H21F3N4O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID146555658
Molecular FormulaC28H21F3N4O2
Molecular Weight502.50 g/mol
Exact Mass502.16
IUPAC Name2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(Oc2cc(-c3cccnc3)nc3c2ccn3C)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H21F3N4O2/c1-17-8-9-21(14-23(17)27(36)33-20-7-3-6-19(13-20)28(29,30)31)37-25-15-24(18-5-4-11-32-16-18)34-26-22(25)10-12-35(26)2/h3-16H,1-2H3,(H,33,36)
InChIKeyNKNJDGQLXWDAEV-UHFFFAOYSA-N
XLogP7.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621464
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
6-(4-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801357
4-methyl-3-(9-methyl-2-pyridin-3-ylpurin-6-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146555949
4-methyl-N-(3-methylphenyl)-3-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxybenzamide;4-methyl-N-(3-methylphenyl)-3-(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)oxybenzamide;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide
CID 161347615
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
N-[4-methyl-3-(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 146556145
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1110985
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
4-[(4-methylpiperazin-1-yl)methyl]-N-[3-(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 146555666
4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide
CID 157278189
3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 146555658) is 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(Oc2cc(-c3cccnc3)nc3c2ccn3C)cc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NKNJDGQLXWDAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2/c1-17-8-9-21(14-23(17)27(36)33-20-7-3-6-19(13-20)28(29,30)31)37-25-15-24(18-5-4-11-32-16-18)34-26-22(25)10-12-35(26)2/h3-16H,1-2H3,(H,33,36).
What are the key properties of 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide?
2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 502.50 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 146555658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).