[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C192H180F8N28O26S7 — CID 157339022

IUPAC[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccncc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cnccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C29H27F3N4O4S.2C28H27FN4O4S.2C27H25FN4O4S.C27H26N4O3S.C26H23FN4O3S/c1-40-25-17-21(9-10-22(25)19-41(38,39)26-8-2-5-20-6-3-12-34-27(20)26)28(37)36-15-13-35(14-16-36)18-24-23(29(30,31)32)7-4-11-33-24;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-22-9-11-30-17-24(22)29)7-8-23(25)19-38(35,36)26-6-2-4-20-5-3-10-31-27(20)26;1-37-25-15-22(28(34)33-12-10-32(11-13-33)18-20-14-24(29)17-30-16-20)7-8-23(25)19-38(35,36)26-6-2-4-21-5-3-9-31-27(21)26;1-36-23-7-4-12-30-26(23)31-13-15-32(16-14-31)27(33)20-9-10-21(22(28)17-20)18-37(34,35)24-8-2-5-19-6-3-11-29-25(19)24;1-36-24-17-29-11-9-23(24)31-12-14-32(15-13-31)27(33)20-7-8-21(22(28)16-20)18-37(34,35)25-6-2-4-19-5-3-10-30-26(19)25;1-20-18-22(27(32)31-16-14-30(15-17-31)24-9-12-28-13-10-24)7-8-23(20)19-35(33,34)25-6-2-4-21-5-3-11-29-26(21)25;27-23-17-20(26(32)31-15-13-30(14-16-31)22-8-11-28-12-9-22)6-7-21(23)18-35(33,34)24-5-1-3-19-4-2-10-29-25(19)24/h2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18H2,1H3;2-11,16-17H,12-15,18H2,1H3;2-13,18H,14-17,19H2,1H3;1-12,17H,13-16,18H2
InChIKeyBGEHCZNLNFXUCZ-UHFFFAOYSA-N
MW3672.17 g/mol
LogP27.02
Rot. Bonds43

About [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 157339022) has the molecular formula C192H180F8N28O26S7 and a molecular weight of 3672.17 g/mol. Its IUPAC name is [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID157339022
Molecular FormulaC192H180F8N28O26S7
Molecular Weight3672.17 g/mol
Exact Mass3669.15
IUPAC Name[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccncc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cnccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C29H27F3N4O4S.2C28H27FN4O4S.2C27H25FN4O4S.C27H26N4O3S.C26H23FN4O3S/c1-40-25-17-21(9-10-22(25)19-41(38,39)26-8-2-5-20-6-3-12-34-27(20)26)28(37)36-15-13-35(14-16-36)18-24-23(29(30,31)32)7-4-11-33-24;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-22-9-11-30-17-24(22)29)7-8-23(25)19-38(35,36)26-6-2-4-20-5-3-10-31-27(20)26;1-37-25-15-22(28(34)33-12-10-32(11-13-33)18-20-14-24(29)17-30-16-20)7-8-23(25)19-38(35,36)26-6-2-4-21-5-3-9-31-27(21)26;1-36-23-7-4-12-30-26(23)31-13-15-32(16-14-31)27(33)20-9-10-21(22(28)17-20)18-37(34,35)24-8-2-5-19-6-3-11-29-25(19)24;1-36-24-17-29-11-9-23(24)31-12-14-32(15-13-31)27(33)20-7-8-21(22(28)16-20)18-37(34,35)25-6-2-4-19-5-3-10-30-26(19)25;1-20-18-22(27(32)31-16-14-30(15-17-31)24-9-12-28-13-10-24)7-8-23(20)19-35(33,34)25-6-2-4-21-5-3-11-29-26(21)25;27-23-17-20(26(32)31-15-13-30(14-16-31)22-8-11-28-12-9-22)6-7-21(23)18-35(33,34)24-5-1-3-19-4-2-10-29-25(19)24/h2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18H2,1H3;2-11,16-17H,12-15,18H2,1H3;2-13,18H,14-17,19H2,1H3;1-12,17H,13-16,18H2
InChIKeyBGEHCZNLNFXUCZ-UHFFFAOYSA-N
XLogP27.02
TPSA630.44 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds43
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003672.17
LogP ≤ 527.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-Fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 157166310
[4-[(5-Chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 158546174
[4-(Cyclohexylmethyl)piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 158965906
N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;N-[2-methoxy-4-[4-(5-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methoxy-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 159783979
Carbon dioxide;[4-(5-ethyl-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 160606886
2-Chloro-8-(5-fluoro-2-methoxyphenyl)quinazoline;2-chloro-8-(2-methoxy-4-methylsulfonylphenyl)quinazoline;2-chloro-8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline;4-(2-chloroquinazolin-8-yl)-3-methoxybenzamide;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 161530154
(2R)-N-[[2-[7-(difluoromethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,6-naphthyridin-7-yl]methyl]-2,6-difluoro-1,1-dioxo-3,5-dihydro-2H-4,1lambda6-benzoxathiepine-8-carboxamide
CID 170388395
(2R)-N-[[2-[6-(difluoromethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,6-naphthyridin-7-yl]methyl]-2,6-difluoro-1,1-dioxo-3,5-dihydro-2H-4,1lambda6-benzoxathiepine-8-carboxamide
CID 170388554
(2R)-N-[[2-[6-(difluoromethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,6-naphthyridin-7-yl]methyl]-2-fluoro-6-methyl-1,1-dioxo-3,5-dihydro-2H-4,1lambda6-benzoxathiepine-8-carboxamide
CID 170389932
(2R)-N-[(1S)-1-[2-[6-(difluoromethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,6-naphthyridin-7-yl]ethyl]-2,6-difluoro-1,1-dioxo-3,5-dihydro-2H-4,1lambda6-benzoxathiepine-8-carboxamide
CID 170390038
(2R)-6-(difluoromethyl)-2-fluoro-N-[[2-[7-(2-methoxyethoxy)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1,6-naphthyridin-7-yl]methyl]-1,1-dioxo-3,5-dihydro-2H-4,1lambda6-benzoxathiepine-8-carboxamide
CID 170390917
(2R)-6-(difluoromethyl)-2-fluoro-N-[[2-[6-(2-methoxyethoxy)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1,6-naphthyridin-7-yl]methyl]-1,1-dioxo-3,5-dihydro-2H-4,1lambda6-benzoxathiepine-8-carboxamide
CID 170390918

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 157339022) is [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is COc1cc(C(=O)N2CCN(Cc3ccncc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cnccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is BGEHCZNLNFXUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O4S.2C28H27FN4O4S.2C27H25FN4O4S.C27H26N4O3S.C26H23FN4O3S/c1-40-25-17-21(9-10-22(25)19-41(38,39)26-8-2-5-20-6-3-12-34-27(20)26)28(37)36-15-13-35(14-16-36)18-24-23(29(30,31)32)7-4-11-33-24;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-22-9-11-30-17-24(22)29)7-8-23(25)19-38(35,36)26-6-2-4-20-5-3-10-31-27(20)26;1-37-25-15-22(28(34)33-12-10-32(11-13-33)18-20-14-24(29)17-30-16-20)7-8-23(25)19-38(35,36)26-6-2-4-21-5-3-9-31-27(21)26;1-36-23-7-4-12-30-26(23)31-13-15-32(16-14-31)27(33)20-9-10-21(22(28)17-20)18-37(34,35)24-8-2-5-19-6-3-11-29-25(19)24;1-36-24-17-29-11-9-23(24)31-12-14-32(15-13-31)27(33)20-7-8-21(22(28)16-20)18-37(34,35)25-6-2-4-19-5-3-10-30-26(19)25;1-20-18-22(27(32)31-16-14-30(15-17-31)24-9-12-28-13-10-24)7-8-23(20)19-35(33,34)25-6-2-4-21-5-3-11-29-26(21)25;27-23-17-20(26(32)31-15-13-30(14-16-31)22-8-11-28-12-9-22)6-7-21(23)18-35(33,34)24-5-1-3-19-4-2-10-29-25(19)24/h2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18H2,1H3;2-11,16-17H,12-15,18H2,1H3;2-13,18H,14-17,19H2,1H3;1-12,17H,13-16,18H2.
What are the key properties of [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 3672.17 g/mol, XLogP of 27.02, 43 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 157339022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).