1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea

C22H29N5O3S — CID 146388417

IUPAC1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
SMILESCN1CCC(Nc2cc(-c3ccc4c(c3NC(=O)NS(C)(=O)=O)CCC4)ccn2)CC1
InChIInChI=1S/C22H29N5O3S/c1-27-12-9-17(10-13-27)24-20-14-16(8-11-23-20)19-7-6-15-4-3-5-18(15)21(19)25-22(28)26-31(2,29)30/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,23,24)(H2,25,26,28)
InChIKeyJTQYGZAKFIUFFR-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.82
Rot. Bonds5

About 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea

1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea (PubChem CID 146388417) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea.

Molecular Properties

Compound Name1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
PubChem CID146388417
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
SMILESCN1CCC(Nc2cc(-c3ccc4c(c3NC(=O)NS(C)(=O)=O)CCC4)ccn2)CC1
InChIInChI=1S/C22H29N5O3S/c1-27-12-9-17(10-13-27)24-20-14-16(8-11-23-20)19-7-6-15-4-3-5-18(15)21(19)25-22(28)26-31(2,29)30/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,23,24)(H2,25,26,28)
InChIKeyJTQYGZAKFIUFFR-UHFFFAOYSA-N
XLogP2.82
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea with MolForge

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Launch Full Analysis

Related Compounds

4-(4-amino-2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 146380484
1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfanylurea
CID 153403889
1-[5-[2-(2,2-dimethyloxan-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
CID 146388592
ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 153403891
1-[4-fluoro-2-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-6-phenylphenyl]-3-methylsulfonylurea
CID 146388647
[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl] cyanate;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(1-methylpyrrolidin-3-yl)methylsulfonyl]urea;(1-methylpyrrolidin-3-yl)methanesulfonamide
CID 158327497
1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea
CID 146385804
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
1-[5-(2-ethenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfanylurea
CID 170600876
[1-[4-[4-[(1-propan-2-ylpyrrol-3-yl)sulfonylcarbamoylamino]-2,3-dihydro-1H-inden-5-yl]-2-pyridinyl]piperidin-4-yl]boronic acid
CID 170600812
[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
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
The IUPAC name of 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea (CID 146388417) is 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea.
What is the SMILES notation for 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
The canonical SMILES for 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea is CN1CCC(Nc2cc(-c3ccc4c(c3NC(=O)NS(C)(=O)=O)CCC4)ccn2)CC1.
What is the InChIKey of 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
The InChIKey is JTQYGZAKFIUFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-27-12-9-17(10-13-27)24-20-14-16(8-11-23-20)19-7-6-15-4-3-5-18(15)21(19)25-22(28)26-31(2,29)30/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,23,24)(H2,25,26,28).
What are the key properties of 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea?
1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea has a molecular weight of 443.57 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea is sourced from PubChem (CID 146388417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).