1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate

C44H46N10O8S2 — CID 159644747

About 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate

1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate (PubChem CID 159644747) has the molecular formula C44H46N10O8S2 and a molecular weight of 907.05 g/mol. Its IUPAC name is 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate.

Molecular Properties

• Compound Name: 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate
• PubChem CID: 159644747
• Molecular Formula: C44H46N10O8S2
• Molecular Weight: 907.05 g/mol
• Exact Mass: 906.29
• IUPAC Name: 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate
• SMILES: COc1cc(-c2cc3c(cc2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.COc1cc(-c2cc3c(cc2OC#N)CCC3)ccn1.NS(=O)(=O)c1ccn(C2CC2)n1
• InChI: InChI=1S/C22H23N5O4S.C16H14N2O2.C6H9N3O2S/c1-31-20-13-16(7-9-23-20)18-11-14-3-2-4-15(14)12-19(18)24-22(28)26-32(29,30)21-8-10-27(25-21)17-5-6-17;1-19-16-9-13(5-6-18-16)14-7-11-3-2-4-12(11)8-15(14)20-10-17;7-12(10,11)6-3-4-9(8-6)5-1-2-5/h7-13,17H,2-6H2,1H3,(H2,24,26,28);5-9H,2-4H2,1H3;3-5H,1-2H2,(H2,7,10,11)
• InChIKey: MQUUAJGQYSRETC-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 248.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	907.05
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate?

The IUPAC name of 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate (CID 159644747) is 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate.

What is the SMILES notation for 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate?

The canonical SMILES for 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate is COc1cc(-c2cc3c(cc2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.COc1cc(-c2cc3c(cc2OC#N)CCC3)ccn1.NS(=O)(=O)c1ccn(C2CC2)n1.

What is the InChIKey of 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate?

The InChIKey is MQUUAJGQYSRETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S.C16H14N2O2.C6H9N3O2S/c1-31-20-13-16(7-9-23-20)18-11-14-3-2-4-15(14)12-19(18)24-22(28)26-32(29,30)21-8-10-27(25-21)17-5-6-17;1-19-16-9-13(5-6-18-16)14-7-11-3-2-4-12(11)8-15(14)20-10-17;7-12(10,11)6-3-4-9(8-6)5-1-2-5/h7-13,17H,2-6H2,1H3,(H2,24,26,28);5-9H,2-4H2,1H3;3-5H,1-2H2,(H2,7,10,11).

What are the key properties of 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate?

1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate has a molecular weight of 907.05 g/mol, XLogP of 6.26, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylpyrazole-3-sulfonamide;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl]urea;[6-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-5-yl] cyanate is sourced from PubChem (CID 159644747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).