1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea

C90H107F2N17O19S4 — CID 159812486

About 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea

1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea (PubChem CID 159812486) has the molecular formula C90H107F2N17O19S4 and a molecular weight of 1897.21 g/mol. Its IUPAC name is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea.

Molecular Properties

• Compound Name: 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea
• PubChem CID: 159812486
• Molecular Formula: C90H107F2N17O19S4
• Molecular Weight: 1897.21 g/mol
• Exact Mass: 1895.68
• IUPAC Name: 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea
• SMILES: COc1cc(-c2cc(F)c3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CCC4)n2)CCC3)ccn1.COc1cc(-c2cc(F)c3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)CCOC(C)C)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)CCOC(C)C)CCO3)ccn1
• InChI: InChI=1S/C26H31FN6O4S.C23H24FN5O4S.C21H27N3O5S.C20H25N3O6S/c1-26(2,16-32-11-5-12-32)33-13-9-23(30-33)38(35,36)31-25(34)29-24-19-7-4-6-18(19)21(27)15-20(24)17-8-10-28-22(14-17)37-3;1-33-20-12-14(8-10-25-20)18-13-19(24)16-6-3-7-17(16)22(18)26-23(30)28-34(31,32)21-9-11-29(27-21)15-4-2-5-15;1-14(2)29-11-12-30(26,27)24-21(25)23-20-17-6-4-5-15(17)7-8-18(20)16-9-10-22-19(13-16)28-3;1-13(2)28-10-11-30(25,26)23-20(24)22-19-15(4-5-17-16(19)7-9-29-17)14-6-8-21-18(12-14)27-3/h8-10,13-15H,4-7,11-12,16H2,1-3H3,(H2,29,31,34);8-13,15H,2-7H2,1H3,(H2,26,28,30);7-10,13-14H,4-6,11-12H2,1-3H3,(H2,23,24,25);4-6,8,12-13H,7,9-11H2,1-3H3,(H2,22,23,24)
• InChIKey: NLEYHFVKNJBNAW-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 456.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1897.21
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea?

The IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea (CID 159812486) is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea.

What is the SMILES notation for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea?

The canonical SMILES for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea is COc1cc(-c2cc(F)c3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CCC4)n2)CCC3)ccn1.COc1cc(-c2cc(F)c3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CCC4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)CCOC(C)C)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)CCOC(C)C)CCO3)ccn1.

What is the InChIKey of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea?

The InChIKey is NLEYHFVKNJBNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O4S.C23H24FN5O4S.C21H27N3O5S.C20H25N3O6S/c1-26(2,16-32-11-5-12-32)33-13-9-23(30-33)38(35,36)31-25(34)29-24-19-7-4-6-18(19)21(27)15-20(24)17-8-10-28-22(14-17)37-3;1-33-20-12-14(8-10-25-20)18-13-19(24)16-6-3-7-17(16)22(18)26-23(30)28-34(31,32)21-9-11-29(27-21)15-4-2-5-15;1-14(2)29-11-12-30(26,27)24-21(25)23-20-17-6-4-5-15(17)7-8-18(20)16-9-10-22-19(13-16)28-3;1-13(2)28-10-11-30(25,26)23-20(24)22-19-15(4-5-17-16(19)7-9-29-17)14-6-8-21-18(12-14)27-3/h8-10,13-15H,4-7,11-12,16H2,1-3H3,(H2,29,31,34);8-13,15H,2-7H2,1H3,(H2,26,28,30);7-10,13-14H,4-6,11-12H2,1-3H3,(H2,23,24,25);4-6,8,12-13H,7,9-11H2,1-3H3,(H2,22,23,24).

What are the key properties of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea?

1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea has a molecular weight of 1897.21 g/mol, XLogP of 13.04, 30 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(2-propan-2-yloxyethylsulfonyl)urea is sourced from PubChem (CID 159812486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).