2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C20H16F6N6O3S — CID 165414119

IUPAC2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)c1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C20H16F6N6O3S/c21-19(22,23)17-16(31-8-2-1-3-15(31)29-17)18(33)27-11-13-4-6-14(7-5-13)32-10-9-30(12-28-32)36(34,35)20(24,25)26/h1-8,12H,9-11H2,(H,27,33)
InChIKeyHKTCOTUUVCTIFQ-UHFFFAOYSA-N
MW534.44 g/mol
LogP3.20
Rot. Bonds5

About 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165414119) has the molecular formula C20H16F6N6O3S and a molecular weight of 534.44 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID165414119
Molecular FormulaC20H16F6N6O3S
Molecular Weight534.44 g/mol
Exact Mass534.09
IUPAC Name2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)c1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C20H16F6N6O3S/c21-19(22,23)17-16(31-8-2-1-3-15(31)29-17)18(33)27-11-13-4-6-14(7-5-13)32-10-9-30(12-28-32)36(34,35)20(24,25)26/h1-8,12H,9-11H2,(H,27,33)
InChIKeyHKTCOTUUVCTIFQ-UHFFFAOYSA-N
XLogP3.20
TPSA99.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-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

N-[[4-[[(2S)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155568238
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67402849
7-chloro-2-ethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234864
2-methyl-N-[(E)-1-phenylpropylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6282981
N-[3-(cyclopropylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 9360968
N-[(E)-1-(2-fluorophenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 9669494
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 16279042
3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 9974009
N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 881566
2-(2,4-difluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24783299

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165414119) is 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)c1c(C(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HKTCOTUUVCTIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N6O3S/c21-19(22,23)17-16(31-8-2-1-3-15(31)29-17)18(33)27-11-13-4-6-14(7-5-13)32-10-9-30(12-28-32)36(34,35)20(24,25)26/h1-8,12H,9-11H2,(H,27,33).
What are the key properties of 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 534.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165414119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).