1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea

C17H19N3O3S — CID 146385804

IUPAC1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea
SMILESCc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccncc1)CCC2
InChIInChI=1S/C17H19N3O3S/c1-11-10-13-4-3-5-14(13)16(19-17(21)20-24(2,22)23)15(11)12-6-8-18-9-7-12/h6-10H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeyHICFIJVWRGPIRK-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.63
Rot. Bonds3

About 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea

1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea (PubChem CID 146385804) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea.

Molecular Properties

Compound Name1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea
PubChem CID146385804
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea
SMILESCc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccncc1)CCC2
InChIInChI=1S/C17H19N3O3S/c1-11-10-13-4-3-5-14(13)16(19-17(21)20-24(2,22)23)15(11)12-6-8-18-9-7-12/h6-10H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeyHICFIJVWRGPIRK-UHFFFAOYSA-N
XLogP2.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
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
CID 175753214
CID 175753214
1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 169042478
1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
CID 146388417
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
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
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
N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
CID 153403954
1-(4,6-dimethylpyrimidin-5-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076553
1-(benzenesulfinyl)-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea
CID 153403935
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea?
The IUPAC name of 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea (CID 146385804) is 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea.
What is the SMILES notation for 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea?
The canonical SMILES for 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea is Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccncc1)CCC2.
What is the InChIKey of 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea?
The InChIKey is HICFIJVWRGPIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-10-13-4-3-5-14(13)16(19-17(21)20-24(2,22)23)15(11)12-6-8-18-9-7-12/h6-10H,3-5H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea?
1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea has a molecular weight of 345.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea is sourced from PubChem (CID 146385804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).