1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea

C115H129F5N26O20S5 — CID 157330050

About 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea (PubChem CID 157330050) has the molecular formula C115H129F5N26O20S5 and a molecular weight of 2450.78 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea
• PubChem CID: 157330050
• Molecular Formula: C115H129F5N26O20S5
• Molecular Weight: 2450.78 g/mol
• Exact Mass: 2448.84
• IUPAC Name: 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea
• SMILES: CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC(F)F)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CC(C)C4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)cc(C)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cnn(CC(F)F)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2nn(C(C)C)cc2F)CCC3)ccn1
• InChI: InChI=1S/C27H34N6O4S.C23H27N5O4S.C22H23F2N5O4S.C22H24FN5O4S.C21H21F2N5O4S/c1-18-15-32(16-18)17-27(2,3)33-13-11-24(30-33)38(35,36)31-26(34)29-25-21-7-5-6-19(21)8-9-22(25)20-10-12-28-23(14-20)37-4;1-14(2)28-11-10-21(26-28)33(30,31)27-23(29)25-22-18-7-5-6-16(18)8-9-19(22)17-12-15(3)24-20(13-17)32-4;1-13(2)29-11-9-19(27-29)34(31,32)28-22(30)26-20-16-5-3-4-14(16)6-7-17(20)15-8-10-25-18(12-15)33-21(23)24;1-13(2)28-12-18(23)21(26-28)33(30,31)27-22(29)25-20-16-6-4-5-14(16)7-8-17(20)15-9-10-24-19(11-15)32-3;1-32-19-9-14(7-8-24-19)17-6-5-13-3-2-4-16(13)20(17)26-21(29)27-33(30,31)15-10-25-28(11-15)12-18(22)23/h8-14,18H,5-7,15-17H2,1-4H3,(H2,29,31,34);8-14H,5-7H2,1-4H3,(H2,25,27,29);6-13,21H,3-5H2,1-2H3,(H2,26,28,30);7-13H,4-6H2,1-3H3,(H2,25,27,29);5-11,18H,2-4,12H2,1H3,(H2,26,27,29)
• InChIKey: BFEIPWIIYDWIAB-UHFFFAOYSA-N
• XLogP: 18.50
• TPSA: 579.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2450.78
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea?

The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea (CID 157330050) is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea.

What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea?

The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea is CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC(F)F)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CC(C)C4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)cc(C)n1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cnn(CC(F)F)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2nn(C(C)C)cc2F)CCC3)ccn1.

What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea?

The InChIKey is BFEIPWIIYDWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S.C23H27N5O4S.C22H23F2N5O4S.C22H24FN5O4S.C21H21F2N5O4S/c1-18-15-32(16-18)17-27(2,3)33-13-11-24(30-33)38(35,36)31-26(34)29-25-21-7-5-6-19(21)8-9-22(25)20-10-12-28-23(14-20)37-4;1-14(2)28-11-10-21(26-28)33(30,31)27-23(29)25-22-18-7-5-6-16(18)8-9-19(22)17-12-15(3)24-20(13-17)32-4;1-13(2)29-11-9-19(27-29)34(31,32)28-22(30)26-20-16-5-3-4-14(16)6-7-17(20)15-8-10-25-18(12-15)33-21(23)24;1-13(2)28-12-18(23)21(26-28)33(30,31)27-22(29)25-20-16-6-4-5-14(16)7-8-17(20)15-9-10-24-19(11-15)32-3;1-32-19-9-14(7-8-24-19)17-6-5-13-3-2-4-16(13)20(17)26-21(29)27-33(30,31)15-10-25-28(11-15)12-18(22)23/h8-14,18H,5-7,15-17H2,1-4H3,(H2,29,31,34);8-14H,5-7H2,1-4H3,(H2,25,27,29);6-13,21H,3-5H2,1-2H3,(H2,26,28,30);7-13H,4-6H2,1-3H3,(H2,25,27,29);5-11,18H,2-4,12H2,1H3,(H2,26,27,29).

What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea?

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea has a molecular weight of 2450.78 g/mol, XLogP of 18.50, 34 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-6-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-1-(3-methylazetidin-1-yl)propan-2-yl]pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 157330050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).