1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea

C113H130N24O19S5 — CID 158940136

About 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea

1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea (PubChem CID 158940136) has the molecular formula C113H130N24O19S5 and a molecular weight of 2288.77 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea
• PubChem CID: 158940136
• Molecular Formula: C113H130N24O19S5
• Molecular Weight: 2288.77 g/mol
• Exact Mass: 2286.85
• IUPAC Name: 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea
• SMILES: CNc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)C)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cnn(C(C)C)c2)CCC3)ccn1.O=C(Nc1c(C2CCOCC2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1
• InChI: InChI=1S/C25H28N4O4S.C23H27N5O4S.C22H24N6O3S.C22H25N5O4S.C21H26N4O4S/c1-29(2)16-17-7-10-20(11-8-17)34(31,32)28-25(30)27-24-21-6-4-5-18(21)9-12-22(24)19-13-14-26-23(15-19)33-3;1-23(2,3)28-13-11-20(26-28)33(30,31)27-22(29)25-21-17-7-5-6-15(17)8-9-18(21)16-10-12-24-19(14-16)32-4;1-23-19-13-15(9-11-24-19)18-8-5-14-3-2-4-17(14)21(18)25-22(29)27-32(30,31)20-10-12-28(26-20)16-6-7-16;1-14(2)27-13-17(12-24-27)32(29,30)26-22(28)25-21-18-6-4-5-15(18)7-8-19(21)16-9-10-23-20(11-16)31-3;26-21(24-30(27,28)19-8-11-25(23-19)16-5-6-16)22-20-17-3-1-2-14(17)4-7-18(20)15-9-12-29-13-10-15/h7-15H,4-6,16H2,1-3H3,(H2,27,28,30);8-14H,5-7H2,1-4H3,(H2,25,27,29);5,8-13,16H,2-4,6-7H2,1H3,(H,23,24)(H2,25,27,29);7-14H,4-6H2,1-3H3,(H2,25,26,28);4,7-8,11,15-16H,1-3,5-6,9-10,12-13H2,(H2,22,24,26)
• InChIKey: JKDJMYXNLYWWPH-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 551.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.77
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?

The IUPAC name of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea (CID 158940136) is 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea.

What is the SMILES notation for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?

The canonical SMILES for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea is CNc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)C)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cnn(C(C)C)c2)CCC3)ccn1.O=C(Nc1c(C2CCOCC2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.

What is the InChIKey of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?

The InChIKey is JKDJMYXNLYWWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S.C23H27N5O4S.C22H24N6O3S.C22H25N5O4S.C21H26N4O4S/c1-29(2)16-17-7-10-20(11-8-17)34(31,32)28-25(30)27-24-21-6-4-5-18(21)9-12-22(24)19-13-14-26-23(15-19)33-3;1-23(2,3)28-13-11-20(26-28)33(30,31)27-22(29)25-21-17-7-5-6-15(17)8-9-18(21)16-10-12-24-19(14-16)32-4;1-23-19-13-15(9-11-24-19)18-8-5-14-3-2-4-17(14)21(18)25-22(29)27-32(30,31)20-10-12-28(26-20)16-6-7-16;1-14(2)27-13-17(12-24-27)32(29,30)26-22(28)25-21-18-6-4-5-15(18)7-8-19(21)16-9-10-23-20(11-16)31-3;26-21(24-30(27,28)19-8-11-25(23-19)16-5-6-16)22-20-17-3-1-2-14(17)4-7-18(20)15-9-12-29-13-10-15/h7-15H,4-6,16H2,1-3H3,(H2,27,28,30);8-14H,5-7H2,1-4H3,(H2,25,27,29);5,8-13,16H,2-4,6-7H2,1H3,(H,23,24)(H2,25,27,29);7-14H,4-6H2,1-3H3,(H2,25,26,28);4,7-8,11,15-16H,1-3,5-6,9-10,12-13H2,(H2,22,24,26).

What are the key properties of 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea?

1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea has a molecular weight of 2288.77 g/mol, XLogP of 17.49, 29 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-[2-(methylamino)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-yl]urea;1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea is sourced from PubChem (CID 158940136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).