1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea

C72H80N14O11S3 — CID 158072731

IUPAC1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(CN(C)C)nc2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(CN(C)C)c2)CCC3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1
InChIInChI=1S/2C24H27N5O4S.C24H26N4O3S/c1-29(2)15-18-8-9-19(14-26-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-10-21(23)17-11-12-25-22(13-17)33-3;1-29(2)15-18-14-19(10-12-25-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-8-21(23)17-9-11-26-22(13-17)33-3;1-15(2)22-14-19(10-12-26-22)32(30,31)28-24(29)27-23-20-6-4-5-17(20)7-8-21(23)18-9-11-25-16(3)13-18/h2*7-14H,4-6,15H2,1-3H3,(H2,27,28,30);7-15H,4-6H2,1-3H3,(H2,27,28,29)
InChIKeyFLZVAFAELMOANA-UHFFFAOYSA-N
MW1413.72 g/mol
LogP11.00
Rot. Bonds19

About 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea

1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea (PubChem CID 158072731) has the molecular formula C72H80N14O11S3 and a molecular weight of 1413.72 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea
PubChem CID158072731
Molecular FormulaC72H80N14O11S3
Molecular Weight1413.72 g/mol
Exact Mass1412.53
IUPAC Name1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(CN(C)C)nc2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(CN(C)C)c2)CCC3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1
InChIInChI=1S/2C24H27N5O4S.C24H26N4O3S/c1-29(2)15-18-8-9-19(14-26-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-10-21(23)17-11-12-25-22(13-17)33-3;1-29(2)15-18-14-19(10-12-25-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-8-21(23)17-9-11-26-22(13-17)33-3;1-15(2)22-14-19(10-12-26-22)32(30,31)28-24(29)27-23-20-6-4-5-17(20)7-8-21(23)18-9-11-25-16(3)13-18/h2*7-14H,4-6,15H2,1-3H3,(H2,27,28,30);7-15H,4-6H2,1-3H3,(H2,27,28,29)
InChIKeyFLZVAFAELMOANA-UHFFFAOYSA-N
XLogP11.00
TPSA328.09 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001413.72
LogP ≤ 511.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea 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

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[7-[[[6-[(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)carbamoylsulfamoyl]pyridazin-4-yl]-methylamino]methyl]-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137403947
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-3-[5-[5-[1-[2-[[4-[[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylcarbamoylamino]-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethyl]-3-[(7-fluoro-5-pyridin-3-yl-2,3-dihydro-1H-inden-4-yl)carbamoylsulfamoyl]pyrazol-5-yl]-2-methoxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 137509981
1-benzylsulfonyl-3-[2-[4-[4-(benzylsulfonylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-6-methoxy-2-pyridinyl]-7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl]urea
CID 154977488
1-[5-[2-(difluoromethoxy)-6-[5-(2-methoxy-6-methyl-4-pyridinyl)-4-[(1-propan-2-ylpyrazol-3-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-1-yl]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 155313257
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[1-[5-[4-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamoylsulfamoyl]piperidin-1-yl]pentan-2-yl]-6-oxo-3-pyridinyl]sulfonyl]urea
CID 137402956
1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137403475
1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137403477
1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea
CID 137404333
1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfinyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137404339
1-[3-[(dimethylamino)methyl]-4-propan-2-ylphenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137509800
1-[1-cyclopropyl-5-(methylaminomethyl)pyrazol-3-yl]sulfonyl-3-[2-[[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyrazol-1-yl]ethyl-methylamino]methyl]-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 137512973
1-[6-methyl-5-[3-methyl-2-[1-methyl-3-[2-[[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamoylsulfamoyl]cyclopropyl]piperidin-4-yl]oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
CID 146385836

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea (CID 158072731) is 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea is COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(CN(C)C)nc2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(CN(C)C)c2)CCC3)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccnc(C(C)C)c2)CCC3)ccn1.
What is the InChIKey of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
The InChIKey is FLZVAFAELMOANA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27N5O4S.C24H26N4O3S/c1-29(2)15-18-8-9-19(14-26-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-10-21(23)17-11-12-25-22(13-17)33-3;1-29(2)15-18-14-19(10-12-25-18)34(31,32)28-24(30)27-23-20-6-4-5-16(20)7-8-21(23)17-9-11-26-22(13-17)33-3;1-15(2)22-14-19(10-12-26-22)32(30,31)28-24(29)27-23-20-6-4-5-17(20)7-8-21(23)18-9-11-25-16(3)13-18/h2*7-14H,4-6,15H2,1-3H3,(H2,27,28,30);7-15H,4-6H2,1-3H3,(H2,27,28,29).
What are the key properties of 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea?
1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea has a molecular weight of 1413.72 g/mol, XLogP of 11.00, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(dimethylamino)methyl]-4-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[[6-[(dimethylamino)methyl]-3-pyridinyl]sulfonyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(2-propan-2-yl-4-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 158072731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).