5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine

C58H60F6N8O5 — CID 158994629

IUPAC5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.[2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1[2H].[2H]c1c(C)c([2H])n2c(C(=O)O)c(C)nc2c1[2H]
InChIInChI=1S/C29H29F3N4O2.C19H21F3N2O.C10H10N2O2/c1-19-3-12-26-34-20(2)27(36(26)18-19)28(37)33-17-21-4-8-24(9-5-21)35-15-13-23(14-16-35)22-6-10-25(11-7-22)38-29(30,31)32;20-19(21,22)25-18-7-3-15(4-8-18)16-9-11-24(12-10-16)17-5-1-14(13-23)2-6-17;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6/h3-12,18,23H,13-17H2,1-2H3,(H,33,37);1-8,16H,9-13,23H2;3-5H,1-2H3,(H,13,14)/i3D,12D,18D;;3D,4D,5D
InChIKeyJQOUOCSVDVSOHV-QWNOZYTLSA-N
MW1069.19 g/mol
LogP12.24
Rot. Bonds11

About 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine

5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine (PubChem CID 158994629) has the molecular formula C58H60F6N8O5 and a molecular weight of 1069.19 g/mol. Its IUPAC name is 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
PubChem CID158994629
Molecular FormulaC58H60F6N8O5
Molecular Weight1069.19 g/mol
Exact Mass1068.50
IUPAC Name5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.[2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1[2H].[2H]c1c(C)c([2H])n2c(C(=O)O)c(C)nc2c1[2H]
InChIInChI=1S/C29H29F3N4O2.C19H21F3N2O.C10H10N2O2/c1-19-3-12-26-34-20(2)27(36(26)18-19)28(37)33-17-21-4-8-24(9-5-21)35-15-13-23(14-16-35)22-6-10-25(11-7-22)38-29(30,31)32;20-19(21,22)25-18-7-3-15(4-8-18)16-9-11-24(12-10-16)17-5-1-14(13-23)2-6-17;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6/h3-12,18,23H,13-17H2,1-2H3,(H,33,37);1-8,16H,9-13,23H2;3-5H,1-2H3,(H,13,14)/i3D,12D,18D;;3D,4D,5D
InChIKeyJQOUOCSVDVSOHV-QWNOZYTLSA-N
XLogP12.24
TPSA151.96 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.19
LogP ≤ 512.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine with MolForge

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Related Compounds

Telacebec
CID 68234908
Dgat1-IN-1
CID 71696573
7-Chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234870
2-Methyl-2-[4-[4-[2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]propanoic acid
CID 71696320
N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117077607
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 117859225
6-chloro-2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442371
2,7-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 129908758
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
N-[[2-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201936
N-[[2-fluoro-4-[1-[5-(trifluoromethoxy)-2-pyridyl]-4-piperidyl]phenyl]methyl]-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 163201975
N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]phenyl]methyl]-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201976

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine?
The IUPAC name of 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine (CID 158994629) is 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine.
What is the SMILES notation for 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine?
The canonical SMILES for 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine is NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.[2H]c1c(C)c([2H])n2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nc2c1[2H].[2H]c1c(C)c([2H])n2c(C(=O)O)c(C)nc2c1[2H].
What is the InChIKey of 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine?
The InChIKey is JQOUOCSVDVSOHV-QWNOZYTLSA-N. The full InChI is InChI=1S/C29H29F3N4O2.C19H21F3N2O.C10H10N2O2/c1-19-3-12-26-34-20(2)27(36(26)18-19)28(37)33-17-21-4-8-24(9-5-21)35-15-13-23(14-16-35)22-6-10-25(11-7-22)38-29(30,31)32;20-19(21,22)25-18-7-3-15(4-8-18)16-9-11-24(12-10-16)17-5-1-14(13-23)2-6-17;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6/h3-12,18,23H,13-17H2,1-2H3,(H,33,37);1-8,16H,9-13,23H2;3-5H,1-2H3,(H,13,14)/i3D,12D,18D;;3D,4D,5D.
What are the key properties of 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine?
5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine has a molecular weight of 1069.19 g/mol, XLogP of 12.24, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 158994629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).