1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea

C104H131N23O16S4 — CID 158247839

About 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea

1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea (PubChem CID 158247839) has the molecular formula C104H131N23O16S4 and a molecular weight of 2087.60 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea
• PubChem CID: 158247839
• Molecular Formula: C104H131N23O16S4
• Molecular Weight: 2087.60 g/mol
• Exact Mass: 2085.90
• IUPAC Name: 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea
• SMILES: CCC(c1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)nn1C(C)C)N(C)C.CCCc1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)nn1C1CC1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(C4CCCN4C)n(C(C)C)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C(C)C)n2)CCC3)ccn1
• InChI: InChI=1S/C27H34N6O4S.C27H36N6O4S.C25H32N6O4S.C25H29N5O4S/c1-17(2)33-23(22-9-6-14-32(22)3)16-25(30-33)38(35,36)31-27(34)29-26-20-8-5-7-18(20)10-11-21(26)19-12-13-28-24(15-19)37-4;1-7-22(32(4)5)23-16-25(30-33(23)17(2)3)38(35,36)31-27(34)29-26-20-10-8-9-18(20)11-12-21(26)19-13-14-28-24(15-19)37-6;1-16(2)31-19(15-30(3)4)14-23(28-31)36(33,34)29-25(32)27-24-20-8-6-7-17(20)9-10-21(24)18-11-12-26-22(13-18)35-5;1-3-5-19-15-23(28-30(19)18-9-10-18)35(32,33)29-25(31)27-24-20-7-4-6-16(20)8-11-21(24)17-12-13-26-22(14-17)34-2/h10-13,15-17,22H,5-9,14H2,1-4H3,(H2,29,31,34);11-17,22H,7-10H2,1-6H3,(H2,29,31,34);9-14,16H,6-8,15H2,1-5H3,(H2,27,29,32);8,11-15,18H,3-7,9-10H2,1-2H3,(H2,27,29,31)
• InChIKey: GGIPPONKSMSEKT-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 470.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.60
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea?

The IUPAC name of 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea (CID 158247839) is 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea.

What is the SMILES notation for 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea?

The canonical SMILES for 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea is CCC(c1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)nn1C(C)C)N(C)C.CCCc1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(OC)c3)ccc3c2CCC3)nn1C1CC1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(C4CCCN4C)n(C(C)C)n2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C(C)C)n2)CCC3)ccn1.

What is the InChIKey of 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea?

The InChIKey is GGIPPONKSMSEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S.C27H36N6O4S.C25H32N6O4S.C25H29N5O4S/c1-17(2)33-23(22-9-6-14-32(22)3)16-25(30-33)38(35,36)31-27(34)29-26-20-8-5-7-18(20)10-11-21(26)19-12-13-28-24(15-19)37-4;1-7-22(32(4)5)23-16-25(30-33(23)17(2)3)38(35,36)31-27(34)29-26-20-10-8-9-18(20)11-12-21(26)19-13-14-28-24(15-19)37-6;1-16(2)31-19(15-30(3)4)14-23(28-31)36(33,34)29-25(32)27-24-20-8-6-7-17(20)9-10-21(24)18-11-12-26-22(13-18)35-5;1-3-5-19-15-23(28-30(19)18-9-10-18)35(32,33)29-25(31)27-24-20-7-4-6-16(20)8-11-21(24)17-12-13-26-22(14-17)34-2/h10-13,15-17,22H,5-9,14H2,1-4H3,(H2,29,31,34);11-17,22H,7-10H2,1-6H3,(H2,29,31,34);9-14,16H,6-8,15H2,1-5H3,(H2,27,29,32);8,11-15,18H,3-7,9-10H2,1-2H3,(H2,27,29,31).

What are the key properties of 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea?

1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea has a molecular weight of 2087.60 g/mol, XLogP of 16.68, 32 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclopropyl-5-propylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-[1-(dimethylamino)propyl]-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-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[5-(1-methylpyrrolidin-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 158247839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).