[6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one

C228H233ClFN41O27 — CID 167700170

IUPAC[6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one
SMILESCc1c(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.Cn1ncc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.Cn1nnc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)c(F)c1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(Cl)cc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C1OCc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.O=C1OCc2ccc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)cc21
InChIInChI=1S/C34H35N5O5.C33H35N7O3.2C33H33N5O5.C32H31FN6O3.C32H34N8O3.C31H32ClN5O3/c1-22-23(6-8-26-29(22)21-44-34(26)42)20-43-25-7-9-30-27(18-25)28(32(40)37-13-3-2-4-14-37)19-31(36-30)33(41)38-16-10-24(11-17-38)39-15-5-12-35-39;1-37-31-9-6-23(18-24(31)21-35-37)22-43-26-7-8-29-27(19-26)28(32(41)38-13-3-2-4-14-38)20-30(36-29)33(42)39-16-10-25(11-17-39)40-15-5-12-34-40;39-31(36-12-2-1-3-13-36)28-19-30(32(40)37-15-9-24(10-16-37)38-14-4-11-34-38)35-29-8-6-25(18-27(28)29)42-20-22-5-7-26-23(17-22)21-43-33(26)41;39-31(36-12-2-1-3-13-36)28-19-30(32(40)37-15-9-24(10-16-37)38-14-4-11-34-38)35-29-8-7-25(18-27(28)29)42-20-22-5-6-23-21-43-33(41)26(23)17-22;33-28-17-22(20-34)5-6-23(28)21-42-25-7-8-29-26(18-25)27(31(40)37-12-2-1-3-13-37)19-30(36-29)32(41)38-15-9-24(10-16-38)39-14-4-11-35-39;1-37-30-9-6-22(18-28(30)35-36-37)21-43-24-7-8-27-25(19-24)26(31(41)38-13-3-2-4-14-38)20-29(34-27)32(42)39-16-10-23(11-17-39)40-15-5-12-33-40;32-23-7-5-22(6-8-23)21-40-25-9-10-28-26(19-25)27(30(38)35-14-2-1-3-15-35)20-29(34-28)31(39)36-17-11-24(12-18-36)37-16-4-13-33-37/h5-9,12,15,18-19,24H,2-4,10-11,13-14,16-17,20-21H2,1H3;5-9,12,15,18-21,25H,2-4,10-11,13-14,16-17,22H2,1H3;2*4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,20-21H2;4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,21H2;5-9,12,15,18-20,23H,2-4,10-11,13-14,16-17,21H2,1H3;4-10,13,16,19-20,24H,1-3,11-12,14-15,17-18,21H2
InChIKeyYGJJGRMAKNIECF-UHFFFAOYSA-N
MW4034.08 g/mol
LogP34.95
Rot. Bonds42

About [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one

[6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one (PubChem CID 167700170) has the molecular formula C228H233ClFN41O27 and a molecular weight of 4034.08 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one
PubChem CID167700170
Molecular FormulaC228H233ClFN41O27
Molecular Weight4034.08 g/mol
Exact Mass4030.78
IUPAC Name[6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one
SMILESCc1c(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.Cn1ncc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.Cn1nnc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)c(F)c1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(Cl)cc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C1OCc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.O=C1OCc2ccc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)cc21
InChIInChI=1S/C34H35N5O5.C33H35N7O3.2C33H33N5O5.C32H31FN6O3.C32H34N8O3.C31H32ClN5O3/c1-22-23(6-8-26-29(22)21-44-34(26)42)20-43-25-7-9-30-27(18-25)28(32(40)37-13-3-2-4-14-37)19-31(36-30)33(41)38-16-10-24(11-17-38)39-15-5-12-35-39;1-37-31-9-6-23(18-24(31)21-35-37)22-43-26-7-8-29-27(19-26)28(32(41)38-13-3-2-4-14-38)20-30(36-29)33(42)39-16-10-25(11-17-39)40-15-5-12-34-40;39-31(36-12-2-1-3-13-36)28-19-30(32(40)37-15-9-24(10-16-37)38-14-4-11-34-38)35-29-8-6-25(18-27(28)29)42-20-22-5-7-26-23(17-22)21-43-33(26)41;39-31(36-12-2-1-3-13-36)28-19-30(32(40)37-15-9-24(10-16-37)38-14-4-11-34-38)35-29-8-7-25(18-27(28)29)42-20-22-5-6-23-21-43-33(41)26(23)17-22;33-28-17-22(20-34)5-6-23(28)21-42-25-7-8-29-26(18-25)27(31(40)37-12-2-1-3-13-37)19-30(36-29)32(41)38-15-9-24(10-16-38)39-14-4-11-35-39;1-37-30-9-6-22(18-28(30)35-36-37)21-43-24-7-8-27-25(19-24)26(31(41)38-13-3-2-4-14-38)20-29(34-27)32(42)39-16-10-23(11-17-39)40-15-5-12-33-40;32-23-7-5-22(6-8-23)21-40-25-9-10-28-26(19-25)27(30(38)35-14-2-1-3-15-35)20-29(34-28)31(39)36-17-11-24(12-18-36)37-16-4-13-33-37/h5-9,12,15,18-19,24H,2-4,10-11,13-14,16-17,20-21H2,1H3;5-9,12,15,18-21,25H,2-4,10-11,13-14,16-17,22H2,1H3;2*4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,20-21H2;4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,21H2;5-9,12,15,18-20,23H,2-4,10-11,13-14,16-17,21H2,1H3;4-10,13,16,19-20,24H,1-3,11-12,14-15,17-18,21H2
InChIKeyYGJJGRMAKNIECF-UHFFFAOYSA-N
XLogP34.95
TPSA715.14 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds42
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004034.08
LogP ≤ 534.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one with MolForge

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Related Compounds

[6-(2,1,3-Benzoxadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[[4-chloro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;2-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone;piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]quinolin-4-yl]methanone
CID 167664305
[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
CID 167709113
5-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]quinoline-8-carboxylic acid;3-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]benzoic acid;5-[7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]pyridine-3-carboxylic acid
CID 157306462
5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159677922
CID 159773215
CID 159773215
5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 160613204
4-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]benzoic acid;4-[(4S)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1-methylindole-6-carboxylic acid;6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1-methylindole-4-carboxylic acid
CID 161801892
5-[(3R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3,4-dimethyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]quinoline-8-carboxylic acid;3-[(3R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]benzoic acid;4-[(3R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-3-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1-methylindole-6-carboxylic acid
CID 162256530
1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
CID 167614087

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one?
The IUPAC name of [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one (CID 167700170) is [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one is Cc1c(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.Cn1ncc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.Cn1nnc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)c(F)c1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(Cl)cc3)ccc2n1)N1CCC(n2cccn2)CC1.O=C1OCc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.O=C1OCc2ccc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)cc21.
What is the InChIKey of [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one?
The InChIKey is YGJJGRMAKNIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O5.C33H35N7O3.2C33H33N5O5.C32H31FN6O3.C32H34N8O3.C31H32ClN5O3/c1-22-23(6-8-26-29(22)21-44-34(26)42)20-43-25-7-9-30-27(18-25)28(32(40)37-13-3-2-4-14-37)19-31(36-30)33(41)38-16-10-24(11-17-38)39-15-5-12-35-39;1-37-31-9-6-23(18-24(31)21-35-37)22-43-26-7-8-29-27(19-26)28(32(41)38-13-3-2-4-14-38)20-30(36-29)33(42)39-16-10-25(11-17-39)40-15-5-12-34-40;39-31(36-12-2-1-3-13-36)28-19-30(32(40)37-15-9-24(10-16-37)38-14-4-11-34-38)35-29-8-6-25(18-27(28)29)42-20-22-5-7-26-23(17-22)21-43-33(26)41;39-31(36-12-2-1-3-13-36)28-19-30(32(40)37-15-9-24(10-16-37)38-14-4-11-34-38)35-29-8-7-25(18-27(28)29)42-20-22-5-6-23-21-43-33(41)26(23)17-22;33-28-17-22(20-34)5-6-23(28)21-42-25-7-8-29-26(18-25)27(31(40)37-12-2-1-3-13-37)19-30(36-29)32(41)38-15-9-24(10-16-38)39-14-4-11-35-39;1-37-30-9-6-22(18-28(30)35-36-37)21-43-24-7-8-27-25(19-24)26(31(41)38-13-3-2-4-14-38)20-29(34-27)32(42)39-16-10-23(11-17-39)40-15-5-12-33-40;32-23-7-5-22(6-8-23)21-40-25-9-10-28-26(19-25)27(30(38)35-14-2-1-3-15-35)20-29(34-28)31(39)36-17-11-24(12-18-36)37-16-4-13-33-37/h5-9,12,15,18-19,24H,2-4,10-11,13-14,16-17,20-21H2,1H3;5-9,12,15,18-21,25H,2-4,10-11,13-14,16-17,22H2,1H3;2*4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,20-21H2;4-8,11,14,17-19,24H,1-3,9-10,12-13,15-16,21H2;5-9,12,15,18-20,23H,2-4,10-11,13-14,16-17,21H2,1H3;4-10,13,16,19-20,24H,1-3,11-12,14-15,17-18,21H2.
What are the key properties of [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one?
[6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one has a molecular weight of 4034.08 g/mol, XLogP of 34.95, 42 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 167700170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).