N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

C21H17F4N7O3S — CID 46840331

IUPACN-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(F)c(S(=O)(=O)C(F)(F)F)c2)cn1
InChIInChI=1S/C21H17F4N7O3S/c1-11(30-20(33)14-6-17-16(8-26-14)29-10-32(17)2)15-7-28-19(9-27-15)31-12-3-4-13(22)18(5-12)36(34,35)21(23,24)25/h3-11H,1-2H3,(H,28,31)(H,30,33)
InChIKeyPGYACYBUGKTRSN-UHFFFAOYSA-N
MW523.47 g/mol
LogP3.43
Rot. Bonds6

About N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46840331) has the molecular formula C21H17F4N7O3S and a molecular weight of 523.47 g/mol. Its IUPAC name is N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46840331
Molecular FormulaC21H17F4N7O3S
Molecular Weight523.47 g/mol
Exact Mass523.10
IUPAC NameN-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(F)c(S(=O)(=O)C(F)(F)F)c2)cn1
InChIInChI=1S/C21H17F4N7O3S/c1-11(30-20(33)14-6-17-16(8-26-14)29-10-32(17)2)15-7-28-19(9-27-15)31-12-3-4-13(22)18(5-12)36(34,35)21(23,24)25/h3-11H,1-2H3,(H,28,31)(H,30,33)
InChIKeyPGYACYBUGKTRSN-UHFFFAOYSA-N
XLogP3.43
TPSA131.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[5-(trifluoromethyl)pyrazin-2-yl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 122490110
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71728053
N-(4-(ethylsulfonyl)benzyl)-1-((1-(5-fluoropyrimidin-2-yl)piperidin-4-
CID 130277873
US11535621, Example 246
CID 155598699
N-(3-methylsulfanylphenyl)-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide
CID 22553541
N-(2-methylsulfonylethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 153637681
[(3R)-3-methylsulfonylpyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 153637748
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 153637813
2-(1-isopropyl-7-(methylsulfonyl)-3,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrazin-2(1H)-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 71736147
US20240374606, Example 193
CID 166484725
N-[(1-methylimidazol-2-yl)methyl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539579
N-ethyl-5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazine-6-carboxamide
CID 9799821

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (CID 46840331) is N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(F)c(S(=O)(=O)C(F)(F)F)c2)cn1.
What is the InChIKey of N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is PGYACYBUGKTRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N7O3S/c1-11(30-20(33)14-6-17-16(8-26-14)29-10-32(17)2)15-7-28-19(9-27-15)31-12-3-4-13(22)18(5-12)36(34,35)21(23,24)25/h3-11H,1-2H3,(H,28,31)(H,30,33).
What are the key properties of N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 523.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-fluoro-3-(trifluoromethylsulfonyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46840331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).