bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride

C81H86Cl3F15N14O5 — CID 161376942

IUPACbis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride
SMILESC.C.C.CN1CCC(F)(c2ncccc2F)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Fc1cccnc1C1(F)CCNCC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1
InChIInChI=1S/2C23H16ClF5N4O2.C11H14F2N2.C11H15FN2O.C10H12F2N2.3CH4.ClH/c2*24-19-17(21(34)32-7-4-22(26,5-8-32)18-16(25)2-1-6-30-18)31-20-15(23(27,28)29)10-14(11-33(19)20)13-3-9-35-12-13;1-15-7-4-11(13,5-8-15)10-9(12)3-2-6-14-10;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-14-9(8)10(12)3-6-13-7-4-10;;;;/h2*1-3,6,9-12H,4-5,7-8H2;2-3,6H,4-5,7-8H2,1H3;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,13H,3-4,6-7H2;3*1H4;1H
InChIKeyPJXZSULOHGXIRZ-UHFFFAOYSA-N
MW1727.00 g/mol
LogP19.15
Rot. Bonds9

About bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride

bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride (PubChem CID 161376942) has the molecular formula C81H86Cl3F15N14O5 and a molecular weight of 1727.00 g/mol. Its IUPAC name is bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride.

Molecular Properties

Compound Namebis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride
PubChem CID161376942
Molecular FormulaC81H86Cl3F15N14O5
Molecular Weight1727.00 g/mol
Exact Mass1724.57
IUPAC Namebis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride
SMILESC.C.C.CN1CCC(F)(c2ncccc2F)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Fc1cccnc1C1(F)CCNCC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1
InChIInChI=1S/2C23H16ClF5N4O2.C11H14F2N2.C11H15FN2O.C10H12F2N2.3CH4.ClH/c2*24-19-17(21(34)32-7-4-22(26,5-8-32)18-16(25)2-1-6-30-18)31-20-15(23(27,28)29)10-14(11-33(19)20)13-3-9-35-12-13;1-15-7-4-11(13,5-8-15)10-9(12)3-2-6-14-10;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-14-9(8)10(12)3-6-13-7-4-10;;;;/h2*1-3,6,9-12H,4-5,7-8H2;2-3,6H,4-5,7-8H2,1H3;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,13H,3-4,6-7H2;3*1H4;1H
InChIKeyPJXZSULOHGXIRZ-UHFFFAOYSA-N
XLogP19.15
TPSA204.69 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.00
LogP ≤ 519.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride with MolForge

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Related Compounds

3-(1-{[3-Chloro-6-(3-furanyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 46870628
1-[1-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 46870989
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
CID 51356732
(3-Chloro-6-furan-3-yl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-[3-(2-fluoro-phenyl)-pyrrolidin-1-yl]-methanone
CID 57774684
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 57774713
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 57774909
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 59443952
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-[4-(trifluoromethoxy)phenyl]ethyl]furo[3,2-d]pyrimidin-4-amine
CID 163201643
3-chloro-6-(furan-2-yl)-N-(furan-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189990
3-chloro-6-(furan-2-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189994
3-chloro-6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189995
3-chloro-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25190048

Frequently Asked Questions

What is the IUPAC name of bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride?
The IUPAC name of bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride (CID 161376942) is bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride.
What is the SMILES notation for bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride?
The canonical SMILES for bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride is C.C.C.CN1CCC(F)(c2ncccc2F)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Fc1cccnc1C1(F)CCNCC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(F)(c2ncccc2F)CC1.
What is the InChIKey of bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride?
The InChIKey is PJXZSULOHGXIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16ClF5N4O2.C11H14F2N2.C11H15FN2O.C10H12F2N2.3CH4.ClH/c2*24-19-17(21(34)32-7-4-22(26,5-8-32)18-16(25)2-1-6-30-18)31-20-15(23(27,28)29)10-14(11-33(19)20)13-3-9-35-12-13;1-15-7-4-11(13,5-8-15)10-9(12)3-2-6-14-10;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-14-9(8)10(12)3-6-13-7-4-10;;;;/h2*1-3,6,9-12H,4-5,7-8H2;2-3,6H,4-5,7-8H2,1H3;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,13H,3-4,6-7H2;3*1H4;1H.
What are the key properties of bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride?
bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride has a molecular weight of 1727.00 g/mol, XLogP of 19.15, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]methanone);3-fluoro-2-(4-fluoro-1-methylpiperidin-4-yl)pyridine;3-fluoro-2-(4-fluoropiperidin-4-yl)pyridine;4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;methane;hydrochloride is sourced from PubChem (CID 161376942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).