N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide

C23H23F3N6O2 — CID 59410681

IUPACN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C23H23F3N6O2/c1-30(22(33)32-7-3-4-8-32)9-10-34-20-6-5-15(11-16(20)23(24,25)26)17-12-19-21(18(13-27)29-17)28-14-31(19)2/h5-6,11-12,14H,3-4,7-10H2,1-2H3
InChIKeyWPSIZGQWKPDDPL-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.05
Rot. Bonds5

About N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 59410681) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID59410681
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C23H23F3N6O2/c1-30(22(33)32-7-3-4-8-32)9-10-34-20-6-5-15(11-16(20)23(24,25)26)17-12-19-21(18(13-27)29-17)28-14-31(19)2/h5-6,11-12,14H,3-4,7-10H2,1-2H3
InChIKeyWPSIZGQWKPDDPL-UHFFFAOYSA-N
XLogP4.05
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]pyridine-5-carbonitrile
CID 11725669
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(4-trifluoromethoxy-phenyl)-pyridine-2-carbonitrile
CID 44286376
N-(2,6-dimethylphenyl)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 16126744
6-(4-Ethoxy-3-(trifluoromethyl)phenyl)-3H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 16662142
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpholinoethyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747162
1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747164
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpholinopropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747165
1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747166
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine
CID 18678176
3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]pyridine
CID 18678179
1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204268
1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204335

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide (CID 59410681) is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide is CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is WPSIZGQWKPDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-30(22(33)32-7-3-4-8-32)9-10-34-20-6-5-15(11-16(20)23(24,25)26)17-12-19-21(18(13-27)29-17)28-14-31(19)2/h5-6,11-12,14H,3-4,7-10H2,1-2H3.
What are the key properties of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide?
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 59410681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).