lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate

C50H57F6LiN4O8 — CID 158347924

IUPAClithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate
SMILESCC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2ccn3cc(C(F)(F)F)nc3c2)c1.CCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccn3cc(C(F)(F)F)nc3c2)c1.O.[Li+].[OH-]
InChIInChI=1S/C26H29F3N2O3.C24H25F3N2O3.Li.2H2O/c1-4-33-25(32)21(11-16(2)3)18-7-8-22(34-15-17-5-6-17)20(12-18)19-9-10-31-14-23(26(27,28)29)30-24(31)13-19;1-14(2)9-19(23(30)31)16-5-6-20(32-13-15-3-4-15)18(10-16)17-7-8-29-12-21(24(25,26)27)28-22(29)11-17;;;/h7-10,12-14,16-17,21H,4-6,11,15H2,1-3H3;5-8,10-12,14-15,19H,3-4,9,13H2,1-2H3,(H,30,31);;2*1H2/q;;+1;;/p-1
InChIKeyJAJXHFPBNWWXJT-UHFFFAOYSA-M
MW962.95 g/mol
LogP8.53
Rot. Bonds17

About lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate

lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate (PubChem CID 158347924) has the molecular formula C50H57F6LiN4O8 and a molecular weight of 962.95 g/mol. Its IUPAC name is lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate
PubChem CID158347924
Molecular FormulaC50H57F6LiN4O8
Molecular Weight962.95 g/mol
Exact Mass962.42
IUPAC Namelithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate
SMILESCC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2ccn3cc(C(F)(F)F)nc3c2)c1.CCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccn3cc(C(F)(F)F)nc3c2)c1.O.[Li+].[OH-]
InChIInChI=1S/C26H29F3N2O3.C24H25F3N2O3.Li.2H2O/c1-4-33-25(32)21(11-16(2)3)18-7-8-22(34-15-17-5-6-17)20(12-18)19-9-10-31-14-23(26(27,28)29)30-24(31)13-19;1-14(2)9-19(23(30)31)16-5-6-20(32-13-15-3-4-15)18(10-16)17-7-8-29-12-21(24(25,26)27)28-22(29)11-17;;;/h7-10,12-14,16-17,21H,4-6,11,15H2,1-3H3;5-8,10-12,14-15,19H,3-4,9,13H2,1-2H3,(H,30,31);;2*1H2/q;;+1;;/p-1
InChIKeyJAJXHFPBNWWXJT-UHFFFAOYSA-M
XLogP8.53
TPSA178.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.95
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate with MolForge

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Related Compounds

(2S)-2-tert-butoxy-2-[7-(4,4-dimethyl-1-piperidyl)-8-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,5-dimethyl-imidazo[1,2-a]pyridin-6-yl]acetic acid
CID 163359806
(2S)-2-tert-butoxy-2-[7-(4,4-dimethyl-1-piperidyl)-2-ethyl-8-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-5-methyl-imidazo[1,2-a]pyridin-6-yl]acetic acid
CID 168296343
GPR40 agonist 5
CID 156013404
N-benzyl-2-[4-methoxy-3-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 56603524
3-[4-[(2-Phenylimidazo[1,2-a]pyridin-6-yl)methoxy]phenyl]hex-4-ynoic acid
CID 156009978
3-[4-[[2-(4-Fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156010092
3-[4-[[2-(4-Cyclohexylphenyl)imidazo[1,2-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156010854
3-[4-[[2-(4-Cyclohexylphenyl)imidazo[1,2-a]pyridin-7-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156011495
3-[4-[[2-(4-Fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156011880
3-[4-[[2-(4-Propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156012263
3-[4-[[2-(2-Ethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156013146
3-[4-[[2-(2,4-Dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 156013152

Frequently Asked Questions

What is the IUPAC name of lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate?
The IUPAC name of lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate (CID 158347924) is lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate.
What is the SMILES notation for lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate?
The canonical SMILES for lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate is CC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2ccn3cc(C(F)(F)F)nc3c2)c1.CCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccn3cc(C(F)(F)F)nc3c2)c1.O.[Li+].[OH-].
What is the InChIKey of lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate?
The InChIKey is JAJXHFPBNWWXJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H29F3N2O3.C24H25F3N2O3.Li.2H2O/c1-4-33-25(32)21(11-16(2)3)18-7-8-22(34-15-17-5-6-17)20(12-18)19-9-10-31-14-23(26(27,28)29)30-24(31)13-19;1-14(2)9-19(23(30)31)16-5-6-20(32-13-15-3-4-15)18(10-16)17-7-8-29-12-21(24(25,26)27)28-22(29)11-17;;;/h7-10,12-14,16-17,21H,4-6,11,15H2,1-3H3;5-8,10-12,14-15,19H,3-4,9,13H2,1-2H3,(H,30,31);;2*1H2/q;;+1;;/p-1.
What are the key properties of lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate?
lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate has a molecular weight of 962.95 g/mol, XLogP of 8.53, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoic acid;ethyl 2-[4-(cyclopropylmethoxy)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-4-methylpentanoate;hydroxide;hydrate is sourced from PubChem (CID 158347924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).