chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine

C38H38ClF6N5O3 — CID 161083261

IUPACchloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine
SMILESCCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O.C10H10N2O2.C8H8F3N.CH3Cl/c1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;9-8(10,11)7-3-1-6(5-12)2-4-7;1-2/h3-5,7-8,10-11H,6,9H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;1H3
InChIKeyUGEHKZJINVGHIF-UHFFFAOYSA-N
MW762.19 g/mol
LogP9.45
Rot. Bonds6

About chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine

chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 161083261) has the molecular formula C38H38ClF6N5O3 and a molecular weight of 762.19 g/mol. Its IUPAC name is chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namechloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine
PubChem CID161083261
Molecular FormulaC38H38ClF6N5O3
Molecular Weight762.19 g/mol
Exact Mass761.26
IUPAC Namechloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine
SMILESCCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O.C10H10N2O2.C8H8F3N.CH3Cl/c1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;9-8(10,11)7-3-1-6(5-12)2-4-7;1-2/h3-5,7-8,10-11H,6,9H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;1H3
InChIKeyUGEHKZJINVGHIF-UHFFFAOYSA-N
XLogP9.45
TPSA114.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.19
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

PSJ-2510-up
CID 139095417
N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[5-(trifluoromethyl)pyridin-2-yl]benzamide
CID 23120565
3-(4-Fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51042500
(8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid
CID 58259723
5-(4-(trifluoromethyl)phenyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-imidazole-4-carboxylic acid
CID 58625837
6-(3-Fluorophenyl)-3-(2-pyridin-3-ylethynyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68727424
6-(3-Fluorophenyl)-3-prop-1-en-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68744682
6-(3-Fluorophenyl)-3-(pyrrolidin-1-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68744867
6-(3-fluorophenyl)-3-[(Z)-prop-1-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68745148
6-(3-Fluorophenyl)-3-prop-1-enyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68745149
3-(Cyclohexen-1-yl)-6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68745762
6-(3-Fluorophenyl)-3-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 68745764

Frequently Asked Questions

What is the IUPAC name of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine (CID 161083261) is chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine is CCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UGEHKZJINVGHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O.C10H10N2O2.C8H8F3N.CH3Cl/c1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;9-8(10,11)7-3-1-6(5-12)2-4-7;1-2/h3-5,7-8,10-11H,6,9H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;1H3.
What are the key properties of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine?
chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 762.19 g/mol, XLogP of 9.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 161083261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).