2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid

C20H15ClF3N3O3 — CID 73052136

IUPAC2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1nc2ccc(Cl)cn2c1C#Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H15ClF3N3O3/c1-26(12-19(28)29)11-16-17(27-10-14(21)6-8-18(27)25-16)7-5-13-3-2-4-15(9-13)30-20(22,23)24/h2-4,6,8-10H,11-12H2,1H3,(H,28,29)
InChIKeyHYCZSTAFTALBGN-UHFFFAOYSA-N
MW437.81 g/mol
LogP3.80
Rot. Bonds5

About 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid

2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid (PubChem CID 73052136) has the molecular formula C20H15ClF3N3O3 and a molecular weight of 437.81 g/mol. Its IUPAC name is 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid
PubChem CID73052136
Molecular FormulaC20H15ClF3N3O3
Molecular Weight437.81 g/mol
Exact Mass437.08
IUPAC Name2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1nc2ccc(Cl)cn2c1C#Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H15ClF3N3O3/c1-26(12-19(28)29)11-16-17(27-10-14(21)6-8-18(27)25-16)7-5-13-3-2-4-15(9-13)30-20(22,23)24/h2-4,6,8-10H,11-12H2,1H3,(H,28,29)
InChIKeyHYCZSTAFTALBGN-UHFFFAOYSA-N
XLogP3.80
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-prop-1-ynyl-3-(trifluoromethoxy)benzene
CID 118288273
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
methyl 2-[[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methoxy]benzoate
CID 73051808
2-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]-1-piperazin-1-ylethanone
CID 119932464
7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18094800
3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid
CID 167926358
4-[3-(trifluoromethoxy)phenyl]but-3-yn-2-amine
CID 114418792
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
CID 24681171
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxylic acid
CID 114603671
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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid (CID 73052136) is 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1nc2ccc(Cl)cn2c1C#Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is HYCZSTAFTALBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3/c1-26(12-19(28)29)11-16-17(27-10-14(21)6-8-18(27)25-16)7-5-13-3-2-4-15(9-13)30-20(22,23)24/h2-4,6,8-10H,11-12H2,1H3,(H,28,29).
What are the key properties of 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid?
2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 437.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]imidazo[1,2-a]pyridin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 73052136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).