[1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium

C20H16ClF4N6O2Tl — CID 156649130

IUPAC[1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium
SMILESCOC1=NN(c2ccc(CNC(=O)c3c(C(F)(F)F)nc4ccc(Cl)cn34)cc2F)CCN1[Tl]
InChIInChI=1S/C20H17ClF4N6O2.Tl/c1-33-19-26-6-7-31(29-19)14-4-2-11(8-13(14)22)9-27-18(32)16-17(20(23,24)25)28-15-5-3-12(21)10-30(15)16;/h2-5,8,10H,6-7,9H2,1H3,(H2,26,27,29,32);/q;+1/p-1
InChIKeyWLFRXFHMPPMOQK-UHFFFAOYSA-M
MW688.22 g/mol
LogP3.20
Rot. Bonds4

About [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium

[1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium (PubChem CID 156649130) has the molecular formula C20H16ClF4N6O2Tl and a molecular weight of 688.22 g/mol. Its IUPAC name is [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium.

Molecular Properties

Compound Name[1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium
PubChem CID156649130
Molecular FormulaC20H16ClF4N6O2Tl
Molecular Weight688.22 g/mol
Exact Mass688.07
IUPAC Name[1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium
SMILESCOC1=NN(c2ccc(CNC(=O)c3c(C(F)(F)F)nc4ccc(Cl)cn34)cc2F)CCN1[Tl]
InChIInChI=1S/C20H17ClF4N6O2.Tl/c1-33-19-26-6-7-31(29-19)14-4-2-11(8-13(14)22)9-27-18(32)16-17(20(23,24)25)28-15-5-3-12(21)10-30(15)16;/h2-5,8,10H,6-7,9H2,1H3,(H2,26,27,29,32);/q;+1/p-1
InChIKeyWLFRXFHMPPMOQK-UHFFFAOYSA-M
XLogP3.20
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500688.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium 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

[1-[4-[[(11-ethyl-1,8,10-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carbonyl)amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 156649147
6-chloro-2-ethyl-N-[[3-fluoro-4-[3-propan-2-yl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165413671
N-[[3-fluoro-4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 165126387
6-chloro-N-[[3-fluoro-4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 163202391
N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71598223
6-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201979
6-chloro-2-ethyl-N-[[3-fluoro-4-[(3S)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163202133
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194010
6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126398
2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 165413743
6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 163202192
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414199

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?
The IUPAC name of [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium (CID 156649130) is [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium.
What is the SMILES notation for [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?
The canonical SMILES for [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium is COC1=NN(c2ccc(CNC(=O)c3c(C(F)(F)F)nc4ccc(Cl)cn34)cc2F)CCN1[Tl].
What is the InChIKey of [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?
The InChIKey is WLFRXFHMPPMOQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17ClF4N6O2.Tl/c1-33-19-26-6-7-31(29-19)14-4-2-11(8-13(14)22)9-27-18(32)16-17(20(23,24)25)28-15-5-3-12(21)10-30(15)16;/h2-5,8,10H,6-7,9H2,1H3,(H2,26,27,29,32);/q;+1/p-1.
What are the key properties of [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium?
[1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium has a molecular weight of 688.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]-2-fluorophenyl]-3-methoxy-5,6-dihydro-1,2,4-triazin-4-yl]thallium is sourced from PubChem (CID 156649130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).