1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea

C98H124N14O16S4 — CID 165082872

IUPAC1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
SMILESCOc1cc(-c2c(C)cc3c(c2NC(=O)NS(=O)(=O)C(C)(C)C)CCC3)ccn1.Cc1cc2c(c(NC(=O)NS(=O)(=O)C(C)(C)C)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.Cc1cc2c(c(NC(=O)NS(=O)(=O)c3ccccc3)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(OC3CCCCC3)c1)CCC2
InChIInChI=1S/C28H32N4O4S.C26H36N4O4S.C23H29N3O4S.C21H27N3O4S/c1-19-17-20-7-6-10-24(20)27(30-28(33)31-37(34,35)23-8-4-3-5-9-23)26(19)21-11-14-29-25(18-21)36-22-12-15-32(2)16-13-22;1-17-15-18-7-6-8-21(18)24(28-25(31)29-35(32,33)26(2,3)4)23(17)19-9-12-27-22(16-19)34-20-10-13-30(5)14-11-20;1-15-13-16-7-6-10-19(16)22(25-23(27)26-31(2,28)29)21(15)17-11-12-24-20(14-17)30-18-8-4-3-5-9-18;1-13-11-14-7-6-8-16(14)19(18(13)15-9-10-22-17(12-15)28-5)23-20(25)24-29(26,27)21(2,3)4/h3-5,8-9,11,14,17-18,22H,6-7,10,12-13,15-16H2,1-2H3,(H2,30,31,33);9,12,15-16,20H,6-8,10-11,13-14H2,1-5H3,(H2,28,29,31);11-14,18H,3-10H2,1-2H3,(H2,25,26,27);9-12H,6-8H2,1-5H3,(H2,23,24,25)
InChIKeyVKHROMSNRCZNLB-UHFFFAOYSA-N
MW1882.42 g/mol
LogP16.94
Rot. Bonds20

About 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea

1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea (PubChem CID 165082872) has the molecular formula C98H124N14O16S4 and a molecular weight of 1882.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
PubChem CID165082872
Molecular FormulaC98H124N14O16S4
Molecular Weight1882.42 g/mol
Exact Mass1880.82
IUPAC Name1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
SMILESCOc1cc(-c2c(C)cc3c(c2NC(=O)NS(=O)(=O)C(C)(C)C)CCC3)ccn1.Cc1cc2c(c(NC(=O)NS(=O)(=O)C(C)(C)C)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.Cc1cc2c(c(NC(=O)NS(=O)(=O)c3ccccc3)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(OC3CCCCC3)c1)CCC2
InChIInChI=1S/C28H32N4O4S.C26H36N4O4S.C23H29N3O4S.C21H27N3O4S/c1-19-17-20-7-6-10-24(20)27(30-28(33)31-37(34,35)23-8-4-3-5-9-23)26(19)21-11-14-29-25(18-21)36-22-12-15-32(2)16-13-22;1-17-15-18-7-6-8-21(18)24(28-25(31)29-35(32,33)26(2,3)4)23(17)19-9-12-27-22(16-19)34-20-10-13-30(5)14-11-20;1-15-13-16-7-6-10-19(16)22(25-23(27)26-31(2,28)29)21(15)17-11-12-24-20(14-17)30-18-8-4-3-5-9-18;1-13-11-14-7-6-8-16(14)19(18(13)15-9-10-22-17(12-15)28-5)23-20(25)24-29(26,27)21(2,3)4/h3-5,8-9,11,14,17-18,22H,6-7,10,12-13,15-16H2,1-2H3,(H2,30,31,33);9,12,15-16,20H,6-8,10-11,13-14H2,1-5H3,(H2,28,29,31);11-14,18H,3-10H2,1-2H3,(H2,25,26,27);9-12H,6-8H2,1-5H3,(H2,23,24,25)
InChIKeyVKHROMSNRCZNLB-UHFFFAOYSA-N
XLogP16.94
TPSA396.04 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001882.42
LogP ≤ 516.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea with MolForge

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Launch Full Analysis

Related Compounds

1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 146380505
methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate
CID 175358149
1-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyrazol-3-yl]sulfonylurea
CID 170601016
1-[4-fluoro-2-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-6-phenylphenyl]-3-methylsulfonylurea
CID 146388647
1-(benzenesulfinyl)-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea
CID 153403935
1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea
CID 146385804
1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
CID 146388417
1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfanylurea
CID 153403889
N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
CID 153403954
1-[5-[2-(2,2-dimethyloxan-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
CID 146388592
1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 171783927
[1-[3-[[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoylsulfamoyl]pyrazol-1-yl]-2-methylpropan-2-yl]boronic acid
CID 174146231

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
The IUPAC name of 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea (CID 165082872) is 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
The canonical SMILES for 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea is COc1cc(-c2c(C)cc3c(c2NC(=O)NS(=O)(=O)C(C)(C)C)CCC3)ccn1.Cc1cc2c(c(NC(=O)NS(=O)(=O)C(C)(C)C)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.Cc1cc2c(c(NC(=O)NS(=O)(=O)c3ccccc3)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(OC3CCCCC3)c1)CCC2.
What is the InChIKey of 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
The InChIKey is VKHROMSNRCZNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S.C26H36N4O4S.C23H29N3O4S.C21H27N3O4S/c1-19-17-20-7-6-10-24(20)27(30-28(33)31-37(34,35)23-8-4-3-5-9-23)26(19)21-11-14-29-25(18-21)36-22-12-15-32(2)16-13-22;1-17-15-18-7-6-8-21(18)24(28-25(31)29-35(32,33)26(2,3)4)23(17)19-9-12-27-22(16-19)34-20-10-13-30(5)14-11-20;1-15-13-16-7-6-10-19(16)22(25-23(27)26-31(2,28)29)21(15)17-11-12-24-20(14-17)30-18-8-4-3-5-9-18;1-13-11-14-7-6-8-16(14)19(18(13)15-9-10-22-17(12-15)28-5)23-20(25)24-29(26,27)21(2,3)4/h3-5,8-9,11,14,17-18,22H,6-7,10,12-13,15-16H2,1-2H3,(H2,30,31,33);9,12,15-16,20H,6-8,10-11,13-14H2,1-5H3,(H2,28,29,31);11-14,18H,3-10H2,1-2H3,(H2,25,26,27);9-12H,6-8H2,1-5H3,(H2,23,24,25).
What are the key properties of 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea has a molecular weight of 1882.42 g/mol, XLogP of 16.94, 20 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea is sourced from PubChem (CID 165082872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).