1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine

C117H157Br2ClN18O10 — CID 167677504

IUPAC1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine
SMILESBrc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.C.C1=C(c2cnn(C3CCCCO3)c2)CCN(Cc2ccccc2)C1.CC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1.CC1(C(=O)N2CCC(c3cnn(C4CCCCO4)c3)CC2)CCC1.CC1(C(=O)O)CCC1.CC1=CCN(Cc2ccccc2)CC1.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.c1nn(C2CCCCO2)cc1C1CCNCC1
InChIInChI=1S/C20H16ClNO2.C20H25N3O.C19H29N3O2.C14H21N3O.C13H21N3O.C13H17N.C8H11BrN2O.C6H10O2.C3H3BrN2.CH4/c1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-2-6-17(7-3-1)15-22-11-9-18(10-12-22)19-14-21-23(16-19)20-8-4-5-13-24-20;1-19(8-4-9-19)18(23)21-10-6-15(7-11-21)16-13-20-22(14-16)17-5-2-3-12-24-17;1-14(5-2-6-14)13(18)17-7-3-11(4-8-17)12-9-15-16-10-12;1-2-8-17-13(3-1)16-10-12(9-15-16)11-4-6-14-7-5-11;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;9-7-5-10-11(6-7)8-3-1-2-4-12-8;1-6(5(7)8)3-2-4-6;4-3-1-5-6-2-3;/h2-10H,11-12H2,1H3;1-3,6-7,9,14,16,20H,4-5,8,10-13,15H2;13-15,17H,2-12H2,1H3;9-11H,2-8H2,1H3,(H,15,16);9-11,13-14H,1-8H2;2-7H,8-11H2,1H3;5-6,8H,1-4H2;2-4H2,1H3,(H,7,8);1-2H,(H,5,6);1H4
InChIKeyVANRWWBSZWFPEX-UHFFFAOYSA-N
MW2170.92 g/mol
LogP24.71
Rot. Bonds19

About 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine

1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine (PubChem CID 167677504) has the molecular formula C117H157Br2ClN18O10 and a molecular weight of 2170.92 g/mol. Its IUPAC name is 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine
PubChem CID167677504
Molecular FormulaC117H157Br2ClN18O10
Molecular Weight2170.92 g/mol
Exact Mass2167.04
IUPAC Name1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine
SMILESBrc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.C.C1=C(c2cnn(C3CCCCO3)c2)CCN(Cc2ccccc2)C1.CC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1.CC1(C(=O)N2CCC(c3cnn(C4CCCCO4)c3)CC2)CCC1.CC1(C(=O)O)CCC1.CC1=CCN(Cc2ccccc2)CC1.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.c1nn(C2CCCCO2)cc1C1CCNCC1
InChIInChI=1S/C20H16ClNO2.C20H25N3O.C19H29N3O2.C14H21N3O.C13H21N3O.C13H17N.C8H11BrN2O.C6H10O2.C3H3BrN2.CH4/c1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-2-6-17(7-3-1)15-22-11-9-18(10-12-22)19-14-21-23(16-19)20-8-4-5-13-24-20;1-19(8-4-9-19)18(23)21-10-6-15(7-11-21)16-13-20-22(14-16)17-5-2-3-12-24-17;1-14(5-2-6-14)13(18)17-7-3-11(4-8-17)12-9-15-16-10-12;1-2-8-17-13(3-1)16-10-12(9-15-16)11-4-6-14-7-5-11;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;9-7-5-10-11(6-7)8-3-1-2-4-12-8;1-6(5(7)8)3-2-4-6;4-3-1-5-6-2-3;/h2-10H,11-12H2,1H3;1-3,6-7,9,14,16,20H,4-5,8,10-13,15H2;13-15,17H,2-12H2,1H3;9-11H,2-8H2,1H3,(H,15,16);9-11,13-14H,1-8H2;2-7H,8-11H2,1H3;5-6,8H,1-4H2;2-4H2,1H3,(H,7,8);1-2H,(H,5,6);1H4
InChIKeyVANRWWBSZWFPEX-UHFFFAOYSA-N
XLogP24.71
TPSA291.53 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.92
LogP ≤ 524.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine with MolForge

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Related Compounds

5-bromo-8-[(4-methoxyphenyl)methylamino]naphthalene-1-carbaldehyde;tert-butyl 4-[[3-amino-2-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]prop-2-enylidene]amino]piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[5-formyl-4-[(4-methoxyphenyl)methylamino]naphthalen-1-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;2-methylpropane;molecular hydrogen;6-[(1-piperidin-4-ylpyrazol-4-yl)amino]-1H-benzo[cd]indol-2-one
CID 167540780
6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;5-(chloromethyl)-1-(oxan-2-yl)pyrazole;1-(2-fluoro-4-isocyanophenyl)-4-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]piperazine;1-(2-fluoro-4-isocyanophenyl)piperazine;1-(2-fluoro-4-isocyanophenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 167593479
1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1-prop-2-enylbenzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine;(2-oxo-1-prop-2-enylbenzo[cd]indol-6-yl)methyl methanesulfonate
CID 167596959
6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;tert-butyl 4-(4-amino-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)amino]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid
CID 167598014
3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]cyclopropyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]cyclopropyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-(2-oxo-1H-benzo[cd]indol-6-yl)cyclopropyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carbaldehyde;3-[6-[1-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]cyclopropyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;3-[6-[1-[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]cyclopropyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[2-oxo-6-[1-(1-piperidin-4-ylpyrazol-4-yl)cyclopropyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[1-(1-piperidin-4-ylpyrazol-4-yl)cyclopropyl]-1H-benzo[cd]indol-2-one;hydrochloride
CID 167611037
3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 167624107
3-bromopiperidine-2,6-dione;tert-butyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3,4-difluorobenzonitrile;4-[4-[[1-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-4-yl]methyl]piperazin-1-yl]-3-fluorobenzonitrile;3-fluoro-4-[4-[[1-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-4-yl]methyl]piperazin-1-yl]benzonitrile;3-fluoro-4-[4-[[1-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-4-yl]methyl]piperazin-1-yl]benzonitrile;3-fluoro-4-piperazin-1-ylbenzonitrile;3-fluoro-4-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]benzonitrile;1H-pyrazole-4-carbaldehyde;hydrochloride
CID 167648540
6-(azidomethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-ethynylpiperidine-1-carboxylate;tert-butyl 4-[1-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]triazol-4-yl]piperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]triazol-1-yl]methyl]-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[(4-piperidin-4-yltriazol-1-yl)methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid
CID 167651560
3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 167657210
tert-butyl 4-[1-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-(1H-pyrazol-5-yl)piperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[(3-piperidin-4-ylpyrazol-1-yl)methyl]benzo[cd]indol-2-one;bis(6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one);1-methylcyclobutane-1-carboxylic acid;hydrochloride
CID 167662498
3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride
CID 167700150
3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 167709220

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine?
The IUPAC name of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine (CID 167677504) is 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine?
The canonical SMILES for 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine is Brc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.C.C1=C(c2cnn(C3CCCCO3)c2)CCN(Cc2ccccc2)C1.CC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1.CC1(C(=O)N2CCC(c3cnn(C4CCCCO4)c3)CC2)CCC1.CC1(C(=O)O)CCC1.CC1=CCN(Cc2ccccc2)CC1.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.c1nn(C2CCCCO2)cc1C1CCNCC1.
What is the InChIKey of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine?
The InChIKey is VANRWWBSZWFPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2.C20H25N3O.C19H29N3O2.C14H21N3O.C13H21N3O.C13H17N.C8H11BrN2O.C6H10O2.C3H3BrN2.CH4/c1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-2-6-17(7-3-1)15-22-11-9-18(10-12-22)19-14-21-23(16-19)20-8-4-5-13-24-20;1-19(8-4-9-19)18(23)21-10-6-15(7-11-21)16-13-20-22(14-16)17-5-2-3-12-24-17;1-14(5-2-6-14)13(18)17-7-3-11(4-8-17)12-9-15-16-10-12;1-2-8-17-13(3-1)16-10-12(9-15-16)11-4-6-14-7-5-11;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;9-7-5-10-11(6-7)8-3-1-2-4-12-8;1-6(5(7)8)3-2-4-6;4-3-1-5-6-2-3;/h2-10H,11-12H2,1H3;1-3,6-7,9,14,16,20H,4-5,8,10-13,15H2;13-15,17H,2-12H2,1H3;9-11H,2-8H2,1H3,(H,15,16);9-11,13-14H,1-8H2;2-7H,8-11H2,1H3;5-6,8H,1-4H2;2-4H2,1H3,(H,7,8);1-2H,(H,5,6);1H4.
What are the key properties of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine?
1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine has a molecular weight of 2170.92 g/mol, XLogP of 24.71, 19 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 167677504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).