1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea

C90H97F2N23O16S4 — CID 157409338

About 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea

1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea (PubChem CID 157409338) has the molecular formula C90H97F2N23O16S4 and a molecular weight of 1923.17 g/mol. Its IUPAC name is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea.

Molecular Properties

• Compound Name: 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
• PubChem CID: 157409338
• Molecular Formula: C90H97F2N23O16S4
• Molecular Weight: 1923.17 g/mol
• Exact Mass: 1921.63
• IUPAC Name: 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
• SMILES: CC(C)(CN1CCC1)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCC3)n1.Cn1ccc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)cc1=O.O=C(Nc1c(-c2ccnc(OC(F)F)c2)ccc2c1CCO2)NS(=O)(=O)c1ccn(C2CCC2)n1.O=C(Nc1c2c(nn1-c1ccncc1)CCC2)NS(=O)(=O)c1ccn(C2CC2)n1
• InChI: InChI=1S/C28H34N6O4S.C22H21F2N5O5S.C22H23N5O4S.C18H19N7O3S/c1-28(2,18-33-14-4-15-33)34-16-12-25(31-34)39(36,37)32-27(35)30-26-22-6-3-5-19(22)7-10-23(26)20-11-13-29-24(17-20)38-21-8-9-21;23-21(24)34-18-12-13(6-9-25-18)15-4-5-17-16(8-11-33-17)20(15)26-22(30)28-35(31,32)19-7-10-29(27-19)14-2-1-3-14;1-26-11-9-15(13-20(26)28)18-8-5-14-3-2-4-17(14)21(18)23-22(29)25-32(30,31)19-10-12-27(24-19)16-6-7-16;26-18(23-29(27,28)16-8-11-24(22-16)12-4-5-12)20-17-14-2-1-3-15(14)21-25(17)13-6-9-19-10-7-13/h7,10-13,16-17,21H,3-6,8-9,14-15,18H2,1-2H3,(H2,30,32,35);4-7,9-10,12,14,21H,1-3,8,11H2,(H2,26,28,30);5,8-13,16H,2-4,6-7H2,1H3,(H2,23,25,29);6-12H,1-5H2,(H2,20,23,26)
• InChIKey: BOCBLMFMHYBDCR-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 481.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1923.17
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?

The IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea (CID 157409338) is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea.

What is the SMILES notation for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?

The canonical SMILES for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea is CC(C)(CN1CCC1)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC4CC4)c3)ccc3c2CCC3)n1.Cn1ccc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)cc1=O.O=C(Nc1c(-c2ccnc(OC(F)F)c2)ccc2c1CCO2)NS(=O)(=O)c1ccn(C2CCC2)n1.O=C(Nc1c2c(nn1-c1ccncc1)CCC2)NS(=O)(=O)c1ccn(C2CC2)n1.

What is the InChIKey of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?

The InChIKey is BOCBLMFMHYBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4S.C22H21F2N5O5S.C22H23N5O4S.C18H19N7O3S/c1-28(2,18-33-14-4-15-33)34-16-12-25(31-34)39(36,37)32-27(35)30-26-22-6-3-5-19(22)7-10-23(26)20-11-13-29-24(17-20)38-21-8-9-21;23-21(24)34-18-12-13(6-9-25-18)15-4-5-17-16(8-11-33-17)20(15)26-22(30)28-35(31,32)19-7-10-29(27-19)14-2-1-3-14;1-26-11-9-15(13-20(26)28)18-8-5-14-3-2-4-17(14)21(18)23-22(29)25-32(30,31)19-10-12-27(24-19)16-6-7-16;26-18(23-29(27,28)16-8-11-24(22-16)12-4-5-12)20-17-14-2-1-3-15(14)21-25(17)13-6-9-19-10-7-13/h7,10-13,16-17,21H,3-6,8-9,14-15,18H2,1-2H3,(H2,30,32,35);4-7,9-10,12,14,21H,1-3,8,11H2,(H2,26,28,30);5,8-13,16H,2-4,6-7H2,1H3,(H2,23,25,29);6-12H,1-5H2,(H2,20,23,26).

What are the key properties of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea?

1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea has a molecular weight of 1923.17 g/mol, XLogP of 12.02, 26 rotatable bonds, 8 hydrogen bond donors, and 31 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-[5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclobutylpyrazol-3-yl)sulfonyl-3-[5-[2-(difluoromethoxy)-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(1-methyl-2-oxo-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(2-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea is sourced from PubChem (CID 157409338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).