6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine

C109H98Cl3F12N15O7 — CID 161153319

IUPAC6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(C2CCNCC2)cc1.N#Cc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.[C-]#[N+]c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C33H30ClF3N4O2.C22H22F3N3O.C22H18F3N3O.C12H14F3NO.C10H9ClN2O2.C10H5ClN2/c1-2-27-32(41-20-25(34)8-14-31(41)38-27)29(42)12-4-21-3-11-28-24(19-21)7-13-30(39-28)40-17-15-23(16-18-40)22-5-9-26(10-6-22)43-33(35,36)37;2*23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-12-8-3-4-9-7(6-8)2-5-10(11)13-9/h3,5-11,13-14,19-20,23H,2,4,12,15-18H2,1H3;1-8,13,17H,9-12,14,26H2;1-8,13,17H,9-12H2;1-4,10,16H,5-8H2;3-5H,2H2,1H3,(H,14,15);2-6H
InChIKeyUOYWMGOBIDQURG-UHFFFAOYSA-N
MW2064.42 g/mol
LogP27.30
Rot. Bonds19

About 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine (PubChem CID 161153319) has the molecular formula C109H98Cl3F12N15O7 and a molecular weight of 2064.42 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine.

Molecular Properties

Compound Name6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
PubChem CID161153319
Molecular FormulaC109H98Cl3F12N15O7
Molecular Weight2064.42 g/mol
Exact Mass2061.66
IUPAC Name6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(C2CCNCC2)cc1.N#Cc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.[C-]#[N+]c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C33H30ClF3N4O2.C22H22F3N3O.C22H18F3N3O.C12H14F3NO.C10H9ClN2O2.C10H5ClN2/c1-2-27-32(41-20-25(34)8-14-31(41)38-27)29(42)12-4-21-3-11-28-24(19-21)7-13-30(39-28)40-17-15-23(16-18-40)22-5-9-26(10-6-22)43-33(35,36)37;2*23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-12-8-3-4-9-7(6-8)2-5-10(11)13-9/h3,5-11,13-14,19-20,23H,2,4,12,15-18H2,1H3;1-8,13,17H,9-12,14,26H2;1-8,13,17H,9-12H2;1-4,10,16H,5-8H2;3-5H,2H2,1H3,(H,14,15);2-6H
InChIKeyUOYWMGOBIDQURG-UHFFFAOYSA-N
XLogP27.30
TPSA253.37 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.42
LogP ≤ 527.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine
CID 163201614
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(1-piperidyl)phenyl]quinazolin-4-amine
CID 163201622
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-2-methyl-N-[4-(1-piperidyl)phenyl]quinazolin-4-amine
CID 163201624
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methyl-N-[4-(1-piperidyl)phenyl]quinazolin-4-amine
CID 163201626
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(3-fluoro-4-morpholino-phenyl)quinazolin-4-amine
CID 163201628
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-N-(3-fluoro-4-morpholino-phenyl)quinazolin-4-amine
CID 163201652
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[2-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine
CID 163201668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-N-[4-[4-(4-fluorophenyl)-1-piperidyl]phenyl]quinazolin-4-amine
CID 163201689
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine
CID 163201704
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-N-[4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]quinazolin-4-amine
CID 163201705
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;N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]quinazolin-4-amine
CID 163201719

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine (CID 161153319) is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine.
What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(C2CCNCC2)cc1.N#Cc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.[C-]#[N+]c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
The InChIKey is UOYWMGOBIDQURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClF3N4O2.C22H22F3N3O.C22H18F3N3O.C12H14F3NO.C10H9ClN2O2.C10H5ClN2/c1-2-27-32(41-20-25(34)8-14-31(41)38-27)29(42)12-4-21-3-11-28-24(19-21)7-13-30(39-28)40-17-15-23(16-18-40)22-5-9-26(10-6-22)43-33(35,36)37;2*23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-12-8-3-4-9-7(6-8)2-5-10(11)13-9/h3,5-11,13-14,19-20,23H,2,4,12,15-18H2,1H3;1-8,13,17H,9-12,14,26H2;1-8,13,17H,9-12H2;1-4,10,16H,5-8H2;3-5H,2H2,1H3,(H,14,15);2-6H.
What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine has a molecular weight of 2064.42 g/mol, XLogP of 27.30, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;2-chloro-6-isocyanoquinoline;4-[4-(trifluoromethoxy)phenyl]piperidine;2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine is sourced from PubChem (CID 161153319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).