[4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone

C110H123F4N19O16S4 — CID 159312865

IUPAC[4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)C4=CCN=C4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)c4ccn(C)n4)CC3(C)C)oc12.Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)C)c4o3)C(C)(C)C2)n1C.Cc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)C)c3o2)C(C)(C)C1
InChIInChI=1S/2C28H32FN5O4S.C27H30FN5O4S.C27H29FN4O4S/c1-17(2)21-13-22(19-7-9-20(29)10-8-19)31-23-14-24(38-26(21)23)27(35)34-12-11-33(16-28(34,4)5)39(36,37)25-15-30-18(3)32(25)6;1-17(2)21-13-22(19-7-9-20(29)10-8-19)30-23-14-24(38-26(21)23)27(35)34-12-11-33(16-28(34,4)5)39(36,37)25-15-32(6)31-18(25)3;1-17(2)20-14-21(18-6-8-19(28)9-7-18)29-22-15-23(37-25(20)22)26(34)33-13-12-32(16-27(33,3)4)38(35,36)24-10-11-31(5)30-24;1-17(2)21-13-22(18-5-7-19(28)8-6-18)30-23-14-24(36-25(21)23)26(33)32-12-11-31(16-27(32,3)4)37(34,35)20-9-10-29-15-20/h2*7-10,13-15,17H,11-12,16H2,1-6H3;6-11,14-15,17H,12-13,16H2,1-5H3;5-9,13-15,17H,10-12,16H2,1-4H3
InChIKeyLCTQIHIDAPXDQC-UHFFFAOYSA-N
MW2171.57 g/mol
LogP18.46
Rot. Bonds20

About [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone

[4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone (PubChem CID 159312865) has the molecular formula C110H123F4N19O16S4 and a molecular weight of 2171.57 g/mol. Its IUPAC name is [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone
PubChem CID159312865
Molecular FormulaC110H123F4N19O16S4
Molecular Weight2171.57 g/mol
Exact Mass2169.82
IUPAC Name[4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)C4=CCN=C4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)c4ccn(C)n4)CC3(C)C)oc12.Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)C)c4o3)C(C)(C)C2)n1C.Cc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)C)c3o2)C(C)(C)C1
InChIInChI=1S/2C28H32FN5O4S.C27H30FN5O4S.C27H29FN4O4S/c1-17(2)21-13-22(19-7-9-20(29)10-8-19)31-23-14-24(38-26(21)23)27(35)34-12-11-33(16-28(34,4)5)39(36,37)25-15-30-18(3)32(25)6;1-17(2)21-13-22(19-7-9-20(29)10-8-19)30-23-14-24(38-26(21)23)27(35)34-12-11-33(16-28(34,4)5)39(36,37)25-15-32(6)31-18(25)3;1-17(2)20-14-21(18-6-8-19(28)9-7-18)29-22-15-23(37-25(20)22)26(34)33-13-12-32(16-27(33,3)4)38(35,36)24-10-11-31(5)30-24;1-17(2)21-13-22(18-5-7-19(28)8-6-18)30-23-14-24(36-25(21)23)26(33)32-12-11-31(16-27(32,3)4)37(34,35)20-9-10-29-15-20/h2*7-10,13-15,17H,11-12,16H2,1-6H3;6-11,14-15,17H,12-13,16H2,1-5H3;5-9,13-15,17H,10-12,16H2,1-4H3
InChIKeyLCTQIHIDAPXDQC-UHFFFAOYSA-N
XLogP18.46
TPSA400.70 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002171.57
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone with MolForge

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Related Compounds

N-[[4-[3-(methoxymethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90013240
[2,2-Dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone
CID 122573878
[4-(2,3-Dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone
CID 122574081
N-[[5-[5-(dimethylamino)thiophen-2-yl]sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(3-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;methane;N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(1-methylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-(4-morpholin-4-ylphenyl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 157813605
N-[[5-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[5-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 158074541
2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfinyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 158397330
N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 158492873
[2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
CID 158995770
N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-[[2-(dimethylamino)-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[2-(dimethylamino)-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 159500354
CID 160017984
CID 160017984
CID 160055045
CID 160055045
2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 160660911

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone?
The IUPAC name of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone (CID 159312865) is [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone.
What is the SMILES notation for [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone?
The canonical SMILES for [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone is CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)C4=CCN=C4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)c4ccn(C)n4)CC3(C)C)oc12.Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)C)c4o3)C(C)(C)C2)n1C.Cc1nn(C)cc1S(=O)(=O)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)C)c3o2)C(C)(C)C1.
What is the InChIKey of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone?
The InChIKey is LCTQIHIDAPXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H32FN5O4S.C27H30FN5O4S.C27H29FN4O4S/c1-17(2)21-13-22(19-7-9-20(29)10-8-19)31-23-14-24(38-26(21)23)27(35)34-12-11-33(16-28(34,4)5)39(36,37)25-15-30-18(3)32(25)6;1-17(2)21-13-22(19-7-9-20(29)10-8-19)30-23-14-24(38-26(21)23)27(35)34-12-11-33(16-28(34,4)5)39(36,37)25-15-32(6)31-18(25)3;1-17(2)20-14-21(18-6-8-19(28)9-7-18)29-22-15-23(37-25(20)22)26(34)33-13-12-32(16-27(33,3)4)38(35,36)24-10-11-31(5)30-24;1-17(2)21-13-22(18-5-7-19(28)8-6-18)30-23-14-24(36-25(21)23)26(33)32-12-11-31(16-27(32,3)4)37(34,35)20-9-10-29-15-20/h2*7-10,13-15,17H,11-12,16H2,1-6H3;6-11,14-15,17H,12-13,16H2,1-5H3;5-9,13-15,17H,10-12,16H2,1-4H3.
What are the key properties of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone?
[4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone has a molecular weight of 2171.57 g/mol, XLogP of 18.46, 20 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylimidazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(2H-pyrrol-4-ylsulfonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone is sourced from PubChem (CID 159312865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).