4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide

C133H151N27O8S5 — CID 159214750

IUPAC4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide
SMILESCS(=O)(=O)c1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)cc(S(C)(=O)=O)n1.Cc1cncc(S(C)(=O)=O)c1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1.O=S=O.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)nc1.c1ccc2c(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)cccc2c1.c1ccc2sc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)nc2c1.c1cncc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C25H26N4.C23H28N4O4S2.C23H28N4O2S.C22H23N5S.2C20H23N5.O2S/c1-2-7-24-20(4-1)5-3-6-22(24)16-23-17-27-28-25(23)21-10-14-29(15-11-21)18-19-8-12-26-13-9-19;1-32(28,29)21-13-18(14-22(25-21)33(2,30)31)16-27-10-8-19(9-11-27)23-20(15-24-26-23)12-17-6-4-3-5-7-17;1-17-13-24-15-22(30(2,28)29)21(17)16-27-10-8-19(9-11-27)23-20(14-25-26-23)12-18-6-4-3-5-7-18;1-2-4-20-19(3-1)25-21(28-20)13-18-14-24-26-22(18)17-7-11-27(12-8-17)15-16-5-9-23-10-6-16;1-2-17(13-22-7-1)12-19-14-23-24-20(19)18-5-10-25(11-6-18)15-16-3-8-21-9-4-16;1-2-8-22-19(3-1)13-18-14-23-24-20(18)17-6-11-25(12-7-17)15-16-4-9-21-10-5-16;1-3-2/h1-9,12-13,17,21H,10-11,14-16,18H2,(H,27,28);3-7,13-15,19H,8-12,16H2,1-2H3,(H,24,26);3-7,13-15,19H,8-12,16H2,1-2H3,(H,25,26);1-6,9-10,14,17H,7-8,11-13,15H2,(H,24,26);1-4,7-9,13-14,18H,5-6,10-12,15H2,(H,23,24);1-5,8-10,14,17H,6-7,11-13,15H2,(H,23,24);
InChIKeyKQXSNEMNOCMYAQ-UHFFFAOYSA-N
MW2416.19 g/mol
LogP21.05
Rot. Bonds33

About 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide

4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide (PubChem CID 159214750) has the molecular formula C133H151N27O8S5 and a molecular weight of 2416.19 g/mol. Its IUPAC name is 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide.

Molecular Properties

Compound Name4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide
PubChem CID159214750
Molecular FormulaC133H151N27O8S5
Molecular Weight2416.19 g/mol
Exact Mass2414.08
IUPAC Name4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide
SMILESCS(=O)(=O)c1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)cc(S(C)(=O)=O)n1.Cc1cncc(S(C)(=O)=O)c1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1.O=S=O.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)nc1.c1ccc2c(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)cccc2c1.c1ccc2sc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)nc2c1.c1cncc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C25H26N4.C23H28N4O4S2.C23H28N4O2S.C22H23N5S.2C20H23N5.O2S/c1-2-7-24-20(4-1)5-3-6-22(24)16-23-17-27-28-25(23)21-10-14-29(15-11-21)18-19-8-12-26-13-9-19;1-32(28,29)21-13-18(14-22(25-21)33(2,30)31)16-27-10-8-19(9-11-27)23-20(15-24-26-23)12-17-6-4-3-5-7-17;1-17-13-24-15-22(30(2,28)29)21(17)16-27-10-8-19(9-11-27)23-20(14-25-26-23)12-18-6-4-3-5-7-18;1-2-4-20-19(3-1)25-21(28-20)13-18-14-24-26-22(18)17-7-11-27(12-8-17)15-16-5-9-23-10-6-16;1-2-17(13-22-7-1)12-19-14-23-24-20(19)18-5-10-25(11-6-18)15-16-3-8-21-9-4-16;1-2-8-22-19(3-1)13-18-14-23-24-20(18)17-6-11-25(12-7-17)15-16-4-9-21-10-5-16;1-3-2/h1-9,12-13,17,21H,10-11,14-16,18H2,(H,27,28);3-7,13-15,19H,8-12,16H2,1-2H3,(H,24,26);3-7,13-15,19H,8-12,16H2,1-2H3,(H,25,26);1-6,9-10,14,17H,7-8,11-13,15H2,(H,24,26);1-4,7-9,13-14,18H,5-6,10-12,15H2,(H,23,24);1-5,8-10,14,17H,6-7,11-13,15H2,(H,23,24);
InChIKeyKQXSNEMNOCMYAQ-UHFFFAOYSA-N
XLogP21.05
TPSA444.09 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002416.19
LogP ≤ 521.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide with MolForge

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Related Compounds

1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
CID 159364559
3-methyl-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]thiolane 1,1-dioxide;7-(1-phenylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-pyridin-3-yl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-thiophen-3-yl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
CID 160729498
1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(3-methyl-4-pyridinyl)sulfonyl]piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(5-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indole
CID 157663363
2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-1,3-benzothiazole;2,2-dimethylpropylcyclohexane;1-(2,2-dimethylpropyl)naphthalene;5-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethane
CID 157695364
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-[(1-methylpyrazol-4-yl)methylamino]propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(1-phenylethylamino)propanamide;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-(2-pyridin-3-ylethylamino)propanamide
CID 158256222
7-(5-tert-butyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;3-methyl-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]thiolane 1,1-dioxide;7-(1-phenylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-pyridin-3-yl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-thiophen-3-yl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 159756522
1-[[1-[(2-methyl-4-pyridinyl)sulfonyl]piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(6-methyl-2-pyridinyl)sulfonyl]piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;1-[[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]indole;5-(1H-pyrazol-4-yl)-1-[(1-pyridin-4-ylsulfonylpiperidin-4-yl)methyl]indole
CID 161950301
1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-methylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 165096735

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide?
The IUPAC name of 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide (CID 159214750) is 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide.
What is the SMILES notation for 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide?
The canonical SMILES for 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide is CS(=O)(=O)c1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)cc(S(C)(=O)=O)n1.Cc1cncc(S(C)(=O)=O)c1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1.O=S=O.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)nc1.c1ccc2c(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)cccc2c1.c1ccc2sc(Cc3cn[nH]c3C3CCN(Cc4ccncc4)CC3)nc2c1.c1cncc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide?
The InChIKey is KQXSNEMNOCMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4.C23H28N4O4S2.C23H28N4O2S.C22H23N5S.2C20H23N5.O2S/c1-2-7-24-20(4-1)5-3-6-22(24)16-23-17-27-28-25(23)21-10-14-29(15-11-21)18-19-8-12-26-13-9-19;1-32(28,29)21-13-18(14-22(25-21)33(2,30)31)16-27-10-8-19(9-11-27)23-20(15-24-26-23)12-17-6-4-3-5-7-17;1-17-13-24-15-22(30(2,28)29)21(17)16-27-10-8-19(9-11-27)23-20(14-25-26-23)12-18-6-4-3-5-7-18;1-2-4-20-19(3-1)25-21(28-20)13-18-14-24-26-22(18)17-7-11-27(12-8-17)15-16-5-9-23-10-6-16;1-2-17(13-22-7-1)12-19-14-23-24-20(19)18-5-10-25(11-6-18)15-16-3-8-21-9-4-16;1-2-8-22-19(3-1)13-18-14-23-24-20(18)17-6-11-25(12-7-17)15-16-4-9-21-10-5-16;1-3-2/h1-9,12-13,17,21H,10-11,14-16,18H2,(H,27,28);3-7,13-15,19H,8-12,16H2,1-2H3,(H,24,26);3-7,13-15,19H,8-12,16H2,1-2H3,(H,25,26);1-6,9-10,14,17H,7-8,11-13,15H2,(H,24,26);1-4,7-9,13-14,18H,5-6,10-12,15H2,(H,23,24);1-5,8-10,14,17H,6-7,11-13,15H2,(H,23,24);.
What are the key properties of 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide?
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide has a molecular weight of 2416.19 g/mol, XLogP of 21.05, 33 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-bis(methylsulfonyl)pyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-5-methylsulfonylpyridine;4-[[4-[4-(naphthalen-1-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]-1,3-benzothiazole;2-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;3-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methyl]pyridine;sulfur dioxide is sourced from PubChem (CID 159214750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).