4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide

C104H115Cl3N20O4S2 — CID 158198400

IUPAC4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide
SMILESCS(=O)(=O)c1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)ccn1.Cc1cnccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1.Clc1cnccc1CN1CC(c2[nH]ncc2Cc2ccccc2)C1.Clc1cnccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)C1.Clc1cnccc1CN1CCCC(c2[nH]ncc2Cc2ccccc2)C1.O=S=O
InChIInChI=1S/C22H26N4O2S.C22H26N4.C21H23ClN4.C20H21ClN4.C19H19ClN4.O2S/c1-29(27,28)21-14-18(7-10-23-21)16-26-11-8-19(9-12-26)22-20(15-24-25-22)13-17-5-3-2-4-6-17;1-17-14-23-10-7-20(17)16-26-11-8-19(9-12-26)22-21(15-24-25-22)13-18-5-3-2-4-6-18;22-20-13-23-9-8-17(20)14-26-10-4-7-18(15-26)21-19(12-24-25-21)11-16-5-2-1-3-6-16;21-19-12-22-8-6-16(19)13-25-9-7-17(14-25)20-18(11-23-24-20)10-15-4-2-1-3-5-15;20-18-10-21-7-6-15(18)11-24-12-17(13-24)19-16(9-22-23-19)8-14-4-2-1-3-5-14;1-3-2/h2-7,10,14-15,19H,8-9,11-13,16H2,1H3,(H,24,25);2-7,10,14-15,19H,8-9,11-13,16H2,1H3,(H,24,25);1-3,5-6,8-9,12-13,18H,4,7,10-11,14-15H2,(H,24,25);1-6,8,11-12,17H,7,9-10,13-14H2,(H,23,24);1-7,9-10,17H,8,11-13H2,(H,22,23);
InChIKeyGAPVPJAKDAWCKW-UHFFFAOYSA-N
MW1879.69 g/mol
LogP18.71
Rot. Bonds26

About 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide

4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide (PubChem CID 158198400) has the molecular formula C104H115Cl3N20O4S2 and a molecular weight of 1879.69 g/mol. Its IUPAC name is 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide.

Molecular Properties

Compound Name4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide
PubChem CID158198400
Molecular FormulaC104H115Cl3N20O4S2
Molecular Weight1879.69 g/mol
Exact Mass1876.79
IUPAC Name4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide
SMILESCS(=O)(=O)c1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)ccn1.Cc1cnccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1.Clc1cnccc1CN1CC(c2[nH]ncc2Cc2ccccc2)C1.Clc1cnccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)C1.Clc1cnccc1CN1CCCC(c2[nH]ncc2Cc2ccccc2)C1.O=S=O
InChIInChI=1S/C22H26N4O2S.C22H26N4.C21H23ClN4.C20H21ClN4.C19H19ClN4.O2S/c1-29(27,28)21-14-18(7-10-23-21)16-26-11-8-19(9-12-26)22-20(15-24-25-22)13-17-5-3-2-4-6-17;1-17-14-23-10-7-20(17)16-26-11-8-19(9-12-26)22-21(15-24-25-22)13-18-5-3-2-4-6-18;22-20-13-23-9-8-17(20)14-26-10-4-7-18(15-26)21-19(12-24-25-21)11-16-5-2-1-3-6-16;21-19-12-22-8-6-16(19)13-25-9-7-17(14-25)20-18(11-23-24-20)10-15-4-2-1-3-5-15;20-18-10-21-7-6-15(18)11-24-12-17(13-24)19-16(9-22-23-19)8-14-4-2-1-3-5-14;1-3-2/h2-7,10,14-15,19H,8-9,11-13,16H2,1H3,(H,24,25);2-7,10,14-15,19H,8-9,11-13,16H2,1H3,(H,24,25);1-3,5-6,8-9,12-13,18H,4,7,10-11,14-15H2,(H,24,25);1-6,8,11-12,17H,7,9-10,13-14H2,(H,23,24);1-7,9-10,17H,8,11-13H2,(H,22,23);
InChIKeyGAPVPJAKDAWCKW-UHFFFAOYSA-N
XLogP18.71
TPSA292.33 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.69
LogP ≤ 518.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[4-[[3-[4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-methylsulfonylphenyl)methyl]piperidin-2-yl]phenyl]methyl]-1H-pyrazol-5-yl]-2-[3-[[5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methyl]phenyl]piperidin-1-yl]methyl]-2-chloropyridine
CID 144962038
4-benzyl-5-[1-(2-phenylethyl)azetidin-3-yl]-1H-pyrazole;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-dichloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,6-dichloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3,5-dichloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methyl-2-methylsulfonylpyridine;sulfur dioxide
CID 157441167
4-benzyl-5-(1-benzylazetidin-3-yl)-1H-pyrazole;1-benzyl-3-(4-benzyl-1H-pyrazol-5-yl)piperidine;1-benzyl-4-(5-benzyl-1H-pyrazol-4-yl)piperidine;4-benzyl-5-(1-benzylpyrrolidin-3-yl)-1H-pyrazole;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine;4-[[4-(5-benzyl-2H-triazol-4-yl)piperidin-1-yl]methyl]pyridine
CID 158754291
Bis(5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine);4-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-2-(4-methylphenyl)pyrrol-1-yl]benzenesulfonamide;4-(3-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;4-[5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 161785565

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide?
The IUPAC name of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide (CID 158198400) is 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide.
What is the SMILES notation for 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide?
The canonical SMILES for 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide is CS(=O)(=O)c1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)ccn1.Cc1cnccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)CC1.Clc1cnccc1CN1CC(c2[nH]ncc2Cc2ccccc2)C1.Clc1cnccc1CN1CCC(c2[nH]ncc2Cc2ccccc2)C1.Clc1cnccc1CN1CCCC(c2[nH]ncc2Cc2ccccc2)C1.O=S=O.
What is the InChIKey of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide?
The InChIKey is GAPVPJAKDAWCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S.C22H26N4.C21H23ClN4.C20H21ClN4.C19H19ClN4.O2S/c1-29(27,28)21-14-18(7-10-23-21)16-26-11-8-19(9-12-26)22-20(15-24-25-22)13-17-5-3-2-4-6-17;1-17-14-23-10-7-20(17)16-26-11-8-19(9-12-26)22-21(15-24-25-22)13-18-5-3-2-4-6-18;22-20-13-23-9-8-17(20)14-26-10-4-7-18(15-26)21-19(12-24-25-21)11-16-5-2-1-3-6-16;21-19-12-22-8-6-16(19)13-25-9-7-17(14-25)20-18(11-23-24-20)10-15-4-2-1-3-5-15;20-18-10-21-7-6-15(18)11-24-12-17(13-24)19-16(9-22-23-19)8-14-4-2-1-3-5-14;1-3-2/h2-7,10,14-15,19H,8-9,11-13,16H2,1H3,(H,24,25);2-7,10,14-15,19H,8-9,11-13,16H2,1H3,(H,24,25);1-3,5-6,8-9,12-13,18H,4,7,10-11,14-15H2,(H,24,25);1-6,8,11-12,17H,7,9-10,13-14H2,(H,23,24);1-7,9-10,17H,8,11-13H2,(H,22,23);.
What are the key properties of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide?
4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide has a molecular weight of 1879.69 g/mol, XLogP of 18.71, 26 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-benzyl-1H-pyrazol-5-yl)azetidin-1-yl]methyl]-3-chloropyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-3-methylpyridine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-methylsulfonylpyridine;4-[[3-(4-benzyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-3-chloropyridine;sulfur dioxide is sourced from PubChem (CID 158198400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).