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

C60H62ClF8N7O5 — CID 158415321

IUPACchloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
SMILESCCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C30H29F4N3O2.C19H20F4N2O.C10H10N2O2.CH3Cl/c1-19-3-12-28-35-20(2)29(37(28)18-19)27(38)11-5-21-4-10-26(25(31)17-21)36-15-13-23(14-16-36)22-6-8-24(9-7-22)39-30(32,33)34;20-17-11-13(12-24)1-6-18(17)25-9-7-15(8-10-25)14-2-4-16(5-3-14)26-19(21,22)23;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;1-2/h3-4,6-10,12,17-18,23H,5,11,13-16H2,1-2H3;1-6,11,15H,7-10,12,24H2;3-5H,1-2H3,(H,13,14);1H3
InChIKeyGZVAVMLIXMIBDE-UHFFFAOYSA-N
MW1148.64 g/mol
LogP14.26
Rot. Bonds12

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

chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine (PubChem CID 158415321) has the molecular formula C60H62ClF8N7O5 and a molecular weight of 1148.64 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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
PubChem CID158415321
Molecular FormulaC60H62ClF8N7O5
Molecular Weight1148.64 g/mol
Exact Mass1147.44
IUPAC Namechloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
SMILESCCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C30H29F4N3O2.C19H20F4N2O.C10H10N2O2.CH3Cl/c1-19-3-12-28-35-20(2)29(37(28)18-19)27(38)11-5-21-4-10-26(25(31)17-21)36-15-13-23(14-16-36)22-6-8-24(9-7-22)39-30(32,33)34;20-17-11-13(12-24)1-6-18(17)25-9-7-15(8-10-25)14-2-4-16(5-3-14)26-19(21,22)23;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;1-2/h3-4,6-10,12,17-18,23H,5,11,13-16H2,1-2H3;1-6,11,15H,7-10,12,24H2;3-5H,1-2H3,(H,13,14);1H3
InChIKeyGZVAVMLIXMIBDE-UHFFFAOYSA-N
XLogP14.26
TPSA139.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.64
LogP ≤ 514.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine with MolForge

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Related Compounds

N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]-2-ethyl-7-fluoro-imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201843
2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202152
6-fluoro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202228
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methyl 7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylate
CID 163201716
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinazoline-2-carboxylic acid
CID 163202174
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163202296
2-ethyl-6-fluoro-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009906
2-ethyl-8-fluoro-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71010002
2-[[4-[4-[4-(Trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 142751943
N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;(E)-4-methylhex-2-ene
CID 145278565
2-[(1S,2S)-2-fluorocyclopropyl]-1-[4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]ethanone;4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 157257430
4-[6-(3-Fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;1-[4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]butan-1-one
CID 157416179

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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine (CID 158415321) is chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine is CCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)c(F)c3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.
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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine?
The InChIKey is GZVAVMLIXMIBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F4N3O2.C19H20F4N2O.C10H10N2O2.CH3Cl/c1-19-3-12-28-35-20(2)29(37(28)18-19)27(38)11-5-21-4-10-26(25(31)17-21)36-15-13-23(14-16-36)22-6-8-24(9-7-22)39-30(32,33)34;20-17-11-13(12-24)1-6-18(17)25-9-7-15(8-10-25)14-2-4-16(5-3-14)26-19(21,22)23;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;1-2/h3-4,6-10,12,17-18,23H,5,11,13-16H2,1-2H3;1-6,11,15H,7-10,12,24H2;3-5H,1-2H3,(H,13,14);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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine?
chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine has a molecular weight of 1148.64 g/mol, XLogP of 14.26, 12 rotatable bonds, 2 hydrogen bond donors, and 11 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-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 158415321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).