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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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

C113H121N29O17S5 — CID 159045027

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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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 159045027) has the molecular formula C113H121N29O17S5 and a molecular weight of 2317.73 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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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: 159045027
• Molecular Formula: C113H121N29O17S5
• Molecular Weight: 2317.73 g/mol
• Exact Mass: 2315.81
• 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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.Cn1ccc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)cc1=O.N#Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(CC4CC4)n2)CCC3)ccn1.O=C(Nc1c2c(nn1-c1ccncc1)CCC2)NS(=O)(=O)c1ccn(C2CC2)n1
• InChI: InChI=1S/C28H34N6O4S.C23H22N6O3S.C22H23N5O4S.C22H23N5O3S.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;24-13-18-12-17(8-10-25-18)20-7-6-16-2-1-3-19(16)22(20)26-23(30)28-33(31,32)21-9-11-29(27-21)14-15-4-5-15;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;1-14-13-16(9-11-23-14)19-8-5-15-3-2-4-18(15)21(19)24-22(28)26-31(29,30)20-10-12-27(25-20)17-6-7-17;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);6-12,15H,1-5,14H2,(H2,26,28,30);5,8-13,16H,2-4,6-7H2,1H3,(H2,23,25,29);5,8-13,17H,2-4,6-7H2,1H3,(H2,24,26,28);6-12H,1-5H2,(H2,20,23,26)
• InChIKey: JWNVGYHBIUGFNA-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 593.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.73
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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 159045027) 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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.Cn1ccc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)cc1=O.N#Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(CC4CC4)n2)CCC3)ccn1.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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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 JWNVGYHBIUGFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4S.C23H22N6O3S.C22H23N5O4S.C22H23N5O3S.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;24-13-18-12-17(8-10-25-18)20-7-6-16-2-1-3-19(16)22(20)26-23(30)28-33(31,32)21-9-11-29(27-21)14-15-4-5-15;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;1-14-13-16(9-11-23-14)19-8-5-15-3-2-4-18(15)21(19)24-22(28)26-31(29,30)20-10-12-27(25-20)17-6-7-17;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);6-12,15H,1-5,14H2,(H2,26,28,30);5,8-13,16H,2-4,6-7H2,1H3,(H2,23,25,29);5,8-13,17H,2-4,6-7H2,1H3,(H2,24,26,28);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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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 2317.73 g/mol, XLogP of 15.12, 30 rotatable bonds, 10 hydrogen bond donors, and 36 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-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[1-(cyclopropylmethyl)pyrazol-3-yl]sulfonylurea;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-[5-(2-methyl-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 159045027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).