1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea

C91H96F3N21O14S4 — CID 158881704

About 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea

1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 158881704) has the molecular formula C91H96F3N21O14S4 and a molecular weight of 1893.16 g/mol. Its IUPAC name is 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

• Compound Name: 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
• PubChem CID: 158881704
• Molecular Formula: C91H96F3N21O14S4
• Molecular Weight: 1893.16 g/mol
• Exact Mass: 1891.63
• IUPAC Name: 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
• SMILES: COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)(C)CN4CC(F)(F)C4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2nn(C4CC4)cc2F)CCC3)ccn1.O=C(Nc1c(-c2ccncc2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c(-c2ccncc2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CCC2)n1
• InChI: InChI=1S/C26H30F2N6O4S.C22H22FN5O4S.C22H23N5O3S.C21H21N5O3S/c1-25(2,14-33-15-26(27,28)16-33)34-12-10-22(31-34)39(36,37)32-24(35)30-23-19-6-4-5-17(19)7-8-20(23)18-9-11-29-21(13-18)38-3;1-32-19-11-14(9-10-24-19)17-8-5-13-3-2-4-16(13)20(17)25-22(29)27-33(30,31)21-18(23)12-28(26-21)15-6-7-15;28-22(26-31(29,30)20-11-14-27(25-20)17-4-2-5-17)24-21-18-6-1-3-15(18)7-8-19(21)16-9-12-23-13-10-16;27-21(25-30(28,29)19-10-13-26(24-19)16-5-6-16)23-20-17-3-1-2-14(17)4-7-18(20)15-8-11-22-12-9-15/h7-13H,4-6,14-16H2,1-3H3,(H2,30,32,35);5,8-12,15H,2-4,6-7H2,1H3,(H2,25,27,29);7-14,17H,1-6H2,(H2,24,26,28);4,7-13,16H,1-3,5-6H2,(H2,23,25,27)
• InChIKey: JDCLAURJOJWXIE-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 445.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1893.16
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?

The IUPAC name of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea (CID 158881704) is 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea.

What is the SMILES notation for 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?

The canonical SMILES for 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-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)c2ccn(C(C)(C)CN4CC(F)(F)C4)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2nn(C4CC4)cc2F)CCC3)ccn1.O=C(Nc1c(-c2ccncc2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.O=C(Nc1c(-c2ccncc2)ccc2c1CCC2)NS(=O)(=O)c1ccn(C2CCC2)n1.

What is the InChIKey of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?

The InChIKey is JDCLAURJOJWXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O4S.C22H22FN5O4S.C22H23N5O3S.C21H21N5O3S/c1-25(2,14-33-15-26(27,28)16-33)34-12-10-22(31-34)39(36,37)32-24(35)30-23-19-6-4-5-17(19)7-8-20(23)18-9-11-29-21(13-18)38-3;1-32-19-11-14(9-10-24-19)17-8-5-13-3-2-4-16(13)20(17)25-22(29)27-33(30,31)21-18(23)12-28(26-21)15-6-7-15;28-22(26-31(29,30)20-11-14-27(25-20)17-4-2-5-17)24-21-18-6-1-3-15(18)7-8-19(21)16-9-12-23-13-10-16;27-21(25-30(28,29)19-10-13-26(24-19)16-5-6-16)23-20-17-3-1-2-14(17)4-7-18(20)15-8-11-22-12-9-15/h7-13H,4-6,14-16H2,1-3H3,(H2,30,32,35);5,8-12,15H,2-4,6-7H2,1H3,(H2,25,27,29);7-14,17H,1-6H2,(H2,24,26,28);4,7-13,16H,1-3,5-6H2,(H2,23,25,27).

What are the key properties of 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea?

1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 1893.16 g/mol, XLogP of 14.01, 24 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-(5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-(1-cyclopropyl-4-fluoropyrazol-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-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;1-[1-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 158881704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).