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

C22H24N6O4S — CID 137404360

IUPAC1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(N(C)C)cnn2)CCC3)ccn1
InChIInChI=1S/C22H24N6O4S/c1-28(2)16-12-20(26-24-13-16)33(30,31)27-22(29)25-21-17-6-4-5-14(17)7-8-18(21)15-9-10-23-19(11-15)32-3/h7-13H,4-6H2,1-3H3,(H2,25,27,29)
InChIKeyNHLAQLMDJZZMCB-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.61
Rot. Bonds6

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

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 137404360) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

Compound Name1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
PubChem CID137404360
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
SMILESCOc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(N(C)C)cnn2)CCC3)ccn1
InChIInChI=1S/C22H24N6O4S/c1-28(2)16-12-20(26-24-13-16)33(30,31)27-22(29)25-21-17-6-4-5-14(17)7-8-18(21)15-9-10-23-19(11-15)32-3/h7-13H,4-6H2,1-3H3,(H2,25,27,29)
InChIKeyNHLAQLMDJZZMCB-UHFFFAOYSA-N
XLogP2.61
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
The IUPAC name of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea (CID 137404360) is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea.
What is the SMILES notation for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
The canonical SMILES for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea is COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(N(C)C)cnn2)CCC3)ccn1.
What is the InChIKey of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
The InChIKey is NHLAQLMDJZZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-28(2)16-12-20(26-24-13-16)33(30,31)27-22(29)25-21-17-6-4-5-14(17)7-8-18(21)15-9-10-23-19(11-15)32-3/h7-13H,4-6H2,1-3H3,(H2,25,27,29).
What are the key properties of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?
1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 468.54 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 137404360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).