N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

C22H17F3N4O2 — CID 25166911

IUPACN,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1
InChIInChI=1S/C22H17F3N4O2/c1-29(2)21(30)15-7-13(9-26-10-15)14-8-17-18(12-28-20(17)27-11-14)16-5-3-4-6-19(16)31-22(23,24)25/h3-12H,1-2H3,(H,27,28)
InChIKeyCOFRHTSSOAYFOF-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.89
Rot. Bonds4

About N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (PubChem CID 25166911) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
PubChem CID25166911
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1
InChIInChI=1S/C22H17F3N4O2/c1-29(2)21(30)15-7-13(9-26-10-15)14-8-17-18(12-28-20(17)27-11-14)16-5-3-4-6-19(16)31-22(23,24)25/h3-12H,1-2H3,(H,27,28)
InChIKeyCOFRHTSSOAYFOF-UHFFFAOYSA-N
XLogP4.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
3-fluoro-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700043
2-amino-3-chloro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700190
2-formamido-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700179
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
2-[2-(dimethylamino)ethylamino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700275
2-hydroxy-N,N-dimethyl-2-[5-[3-(2-sulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 59825089
ethane;2-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-propan-2-ylbenzamide
CID 145492430
N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44555167
2-[[2-(2-methoxyethoxy)acetyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700228
2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 59699936

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (CID 25166911) is N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is CN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1.
What is the InChIKey of N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The InChIKey is COFRHTSSOAYFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29(2)21(30)15-7-13(9-26-10-15)14-8-17-18(12-28-20(17)27-11-14)16-5-3-4-6-19(16)31-22(23,24)25/h3-12H,1-2H3,(H,27,28).
What are the key properties of N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25166911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).