1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C111H121N27O18S5 — CID 158804570

About 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 158804570) has the molecular formula C111H121N27O18S5 and a molecular weight of 2281.69 g/mol. Its IUPAC name is 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
• PubChem CID: 158804570
• Molecular Formula: C111H121N27O18S5
• Molecular Weight: 2281.69 g/mol
• Exact Mass: 2279.80
• IUPAC Name: 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
• SMILES: CC(C)Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cc[nH]c(=O)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3ccncc3c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1
• InChI: InChI=1S/C24H29N5O4S.C22H22N6O4S.C22H22N6O3S.C22H25N5O3S.C21H23N5O4S/c1-15(2)29-13-11-22(27-29)34(31,32)28-24(30)26-23-19-7-5-6-17(19)8-9-20(23)18-10-12-25-21(14-18)33-16(3)4;1-14(2)28-11-8-20(26-28)33(30,31)27-22(29)25-21-17(16-7-10-24-19(12-16)32-3)5-4-15-6-9-23-13-18(15)21;1-14(2)28-12-10-20(26-28)32(30,31)27-22(29)25-21-17-6-4-5-15(17)7-8-18(21)16-9-11-24-19(13-16)23-3;1-14(2)27-12-10-20(25-27)31(29,30)26-22(28)24-21-18-6-4-5-16(18)7-8-19(21)17-9-11-23-15(3)13-17;1-13(2)26-11-9-19(24-26)31(29,30)25-21(28)23-20-16-5-3-4-14(16)6-7-17(20)15-8-10-22-18(27)12-15/h8-16H,5-7H2,1-4H3,(H2,26,28,30);4-14H,1-3H3,(H2,25,27,29);7-14H,4-6H2,1-2H3,(H2,25,27,29);7-14H,4-6H2,1-3H3,(H2,24,26,28);6-13H,3-5H2,1-2H3,(H,22,27)(H2,23,25,28)
• InChIKey: ITXJBCABDFOTQR-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 585.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.69
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

The IUPAC name of 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 158804570) is 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

What is the SMILES notation for 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

The canonical SMILES for 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is CC(C)Oc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.CC(C)n1ccc(S(=O)(=O)NC(=O)Nc2c(-c3cc[nH]c(=O)c3)ccc3c2CCC3)n1.COc1cc(-c2ccc3ccncc3c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)ccn1.Cc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)CCC3)ccn1.

What is the InChIKey of 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

The InChIKey is ITXJBCABDFOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S.C22H22N6O4S.C22H22N6O3S.C22H25N5O3S.C21H23N5O4S/c1-15(2)29-13-11-22(27-29)34(31,32)28-24(30)26-23-19-7-5-6-17(19)8-9-20(23)18-10-12-25-21(14-18)33-16(3)4;1-14(2)28-11-8-20(26-28)33(30,31)27-22(29)25-21-17(16-7-10-24-19(12-16)32-3)5-4-15-6-9-23-13-18(15)21;1-14(2)28-12-10-20(26-28)32(30,31)27-22(29)25-21-17-6-4-5-15(17)7-8-18(21)16-9-11-24-19(13-16)23-3;1-14(2)27-12-10-20(25-27)31(29,30)26-22(28)24-21-18-6-4-5-16(18)7-8-19(21)17-9-11-23-15(3)13-17;1-13(2)26-11-9-19(24-26)31(29,30)25-21(28)23-20-16-5-3-4-14(16)6-7-17(20)15-8-10-22-18(27)12-15/h8-16H,5-7H2,1-4H3,(H2,26,28,30);4-14H,1-3H3,(H2,25,27,29);7-14H,4-6H2,1-2H3,(H2,25,27,29);7-14H,4-6H2,1-3H3,(H2,24,26,28);6-13H,3-5H2,1-2H3,(H,22,27)(H2,23,25,28).

What are the key properties of 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?

1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 2281.69 g/mol, XLogP of 18.63, 28 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[7-(2-methoxy-4-pyridinyl)isoquinolin-8-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-oxo-1H-pyridin-4-yl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[5-(2-propan-2-yloxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 158804570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).