2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride

C81H90BrCl4F11N14O9 — CID 160539538

IUPAC2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride
SMILESC.C.C.CN1CCC(=O)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Cl.Fc1cccnc1Br.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.OC1(c2ncccc2F)CCNCC1
InChIInChI=1S/2C23H17ClF4N4O3.C11H15FN2O.C10H13FN2O.C6H11NO.C5H3BrFN.3CH4.2ClH/c2*24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;1-7-4-2-6(8)3-5-7;6-5-4(7)2-1-3-8-5;;;;;/h2*1-3,6,9-12,34H,4-5,7-8H2;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,12,14H,3-4,6-7H2;2-5H2,1H3;1-3H;3*1H4;2*1H
InChIKeyXQYWPJPUPGDVPT-UHFFFAOYSA-N
MW1834.39 g/mol
LogP16.79
Rot. Bonds8

About 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride

2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride (PubChem CID 160539538) has the molecular formula C81H90BrCl4F11N14O9 and a molecular weight of 1834.39 g/mol. Its IUPAC name is 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride
PubChem CID160539538
Molecular FormulaC81H90BrCl4F11N14O9
Molecular Weight1834.39 g/mol
Exact Mass1830.48
IUPAC Name2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride
SMILESC.C.C.CN1CCC(=O)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Cl.Fc1cccnc1Br.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.OC1(c2ncccc2F)CCNCC1
InChIInChI=1S/2C23H17ClF4N4O3.C11H15FN2O.C10H13FN2O.C6H11NO.C5H3BrFN.3CH4.2ClH/c2*24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;1-7-4-2-6(8)3-5-7;6-5-4(7)2-1-3-8-5;;;;;/h2*1-3,6,9-12,34H,4-5,7-8H2;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,12,14H,3-4,6-7H2;2-5H2,1H3;1-3H;3*1H4;2*1H
InChIKeyXQYWPJPUPGDVPT-UHFFFAOYSA-N
XLogP16.79
TPSA282.45 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001834.39
LogP ≤ 516.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride with MolForge

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Related Compounds

[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoropyridin-2-yl)-4-hydroxypiperidin-1-yl]methanone
CID 46864716
[4-(3-Fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 70866361
Bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone);4-imidazol-1-yl-1-methylpiperidine;4-imidazol-1-ylpiperidine;methane;(1-methylpiperidin-4-yl) methanesulfonate;hydrochloride
CID 157222271
(4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride
CID 157245766
6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methane;methyl (2S)-2-[[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 157535372
tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;methane
CID 157721035
(3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride
CID 158681740
1-[3-Amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid
CID 158714455
3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;cyclopenta-1,4-dien-1-ylboronic acid;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 158971052
6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate
CID 159321228
2-bromo-N,N-dimethylimidazole-1-sulfonamide;2-bromo-1H-imidazole;tert-butyl 4-[1-(dimethylsulfamoyl)imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazole-1-sulfonamide;hydrochloride
CID 159771339
3-[(3R,4R)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one;3-[(3S,4S)-1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-3-hydroxypiperidin-4-yl]-1,3-oxazolidin-2-one
CID 160092582

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?
The IUPAC name of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride (CID 160539538) is 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride.
What is the SMILES notation for 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?
The canonical SMILES for 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride is C.C.C.CN1CCC(=O)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Cl.Fc1cccnc1Br.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.OC1(c2ncccc2F)CCNCC1.
What is the InChIKey of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?
The InChIKey is XQYWPJPUPGDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17ClF4N4O3.C11H15FN2O.C10H13FN2O.C6H11NO.C5H3BrFN.3CH4.2ClH/c2*24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;1-7-4-2-6(8)3-5-7;6-5-4(7)2-1-3-8-5;;;;;/h2*1-3,6,9-12,34H,4-5,7-8H2;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,12,14H,3-4,6-7H2;2-5H2,1H3;1-3H;3*1H4;2*1H.
What are the key properties of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?
2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride has a molecular weight of 1834.39 g/mol, XLogP of 16.79, 8 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride is sourced from PubChem (CID 160539538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).