molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide

C50H47F6IN8O5 — CID 167627921

IUPACmolecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide
SMILESFC(F)(F)c1ccc(OC[C@@H]2CCCN2)nc1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12.O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1COc1ccc(C(F)(F)F)cn1.[H][H]
InChIInChI=1S/C25H21F3N4O2.C14H10N2O2.C11H13F3N2O.HI.H2/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-14-31(19)24(33)23-22(17-7-2-1-3-8-17)30-20-10-4-5-13-32(20)23;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;12-11(13,14)8-3-4-10(16-6-8)17-7-9-2-1-5-15-9;;/h1-5,7-8,10-13,15,19H,6,9,14,16H2;1-9H,(H,17,18);3-4,6,9,15H,1-2,5,7H2;2*1H/t19-;;9-;;/m0.0../s1
InChIKeyIGAWXMGZWUSPOO-ZMTHYUBSSA-N
MW1080.87 g/mol
LogP10.89
Rot. Bonds10

About molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide

molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide (PubChem CID 167627921) has the molecular formula C50H47F6IN8O5 and a molecular weight of 1080.87 g/mol. Its IUPAC name is molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide.

Molecular Properties

Compound Namemolecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide
PubChem CID167627921
Molecular FormulaC50H47F6IN8O5
Molecular Weight1080.87 g/mol
Exact Mass1080.26
IUPAC Namemolecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide
SMILESFC(F)(F)c1ccc(OC[C@@H]2CCCN2)nc1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12.O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1COc1ccc(C(F)(F)F)cn1.[H][H]
InChIInChI=1S/C25H21F3N4O2.C14H10N2O2.C11H13F3N2O.HI.H2/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-14-31(19)24(33)23-22(17-7-2-1-3-8-17)30-20-10-4-5-13-32(20)23;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;12-11(13,14)8-3-4-10(16-6-8)17-7-9-2-1-5-15-9;;/h1-5,7-8,10-13,15,19H,6,9,14,16H2;1-9H,(H,17,18);3-4,6,9,15H,1-2,5,7H2;2*1H/t19-;;9-;;/m0.0../s1
InChIKeyIGAWXMGZWUSPOO-ZMTHYUBSSA-N
XLogP10.89
TPSA148.48 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001080.87
LogP ≤ 510.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide with MolForge

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Related Compounds

2-[[2-[1-(4,4-Difluorocyclohexyl)-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]adamantane-2-carboxylic acid
CID 166177983
2-[[6-(Furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 46865117
4-[3-[[5-Fluoro-3-[[4-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]carbamoyl]-2-pyridinyl]oxy]phenyl]-3-(morpholin-4-ylmethyl)benzoic acid
CID 59190571
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282965
N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283122
rac-Ethyl 6-{1-amino-2-[({8-[(2,6-difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl}carbonyl)amino]ethyl}pyridine-2-carboxylate
CID 76072058
(3S)-3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 90090864
3-[[2-Methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 90090971
3-[[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid;2,2,2-trifluoroacetic acid
CID 90114694
(2,2,2-Trifluoroacetyl) 3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 90114696
6-[1-Amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid
CID 90232507
6-[2-Amino-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]pyridine-2-carboxylic acid
CID 90232574

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide?
The IUPAC name of molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide (CID 167627921) is molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide.
What is the SMILES notation for molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide?
The canonical SMILES for molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide is FC(F)(F)c1ccc(OC[C@@H]2CCCN2)nc1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12.O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1COc1ccc(C(F)(F)F)cn1.[H][H].
What is the InChIKey of molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide?
The InChIKey is IGAWXMGZWUSPOO-ZMTHYUBSSA-N. The full InChI is InChI=1S/C25H21F3N4O2.C14H10N2O2.C11H13F3N2O.HI.H2/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-14-31(19)24(33)23-22(17-7-2-1-3-8-17)30-20-10-4-5-13-32(20)23;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;12-11(13,14)8-3-4-10(16-6-8)17-7-9-2-1-5-15-9;;/h1-5,7-8,10-13,15,19H,6,9,14,16H2;1-9H,(H,17,18);3-4,6,9,15H,1-2,5,7H2;2*1H/t19-;;9-;;/m0.0../s1.
What are the key properties of molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide?
molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide has a molecular weight of 1080.87 g/mol, XLogP of 10.89, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;2-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine;hydroiodide is sourced from PubChem (CID 167627921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).