5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid

C46H52N10O5S2 — CID 157112185

About 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid

5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid (PubChem CID 157112185) has the molecular formula C46H52N10O5S2 and a molecular weight of 889.12 g/mol. Its IUPAC name is 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid
• PubChem CID: 157112185
• Molecular Formula: C46H52N10O5S2
• Molecular Weight: 889.12 g/mol
• Exact Mass: 888.36
• IUPAC Name: 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid
• SMILES: Cc1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)n(Cc2csc(N3CCCCC3)n2)c1.Cc1cc(C(=O)O)n(Cc2csc(N3CCCCC3)n2)c1.Nc1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/C23H25N5O2S.C15H19N3O2S.C8H8N2O/c1-15-9-20(22(30)24-17-5-6-19-16(10-17)11-21(29)26-19)28(12-15)13-18-14-31-23(25-18)27-7-3-2-4-8-27;1-11-7-13(14(19)20)18(8-11)9-12-10-21-15(16-12)17-5-3-2-4-6-17;9-6-1-2-7-5(3-6)4-8(11)10-7/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3,(H,24,30)(H,26,29);7-8,10H,2-6,9H2,1H3,(H,19,20);1-3H,4,9H2,(H,10,11)
• InChIKey: AGZGJVQSMYFQJV-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 192.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.12
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid?

The IUPAC name of 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid (CID 157112185) is 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid.

What is the SMILES notation for 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid?

The canonical SMILES for 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid is Cc1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)n(Cc2csc(N3CCCCC3)n2)c1.Cc1cc(C(=O)O)n(Cc2csc(N3CCCCC3)n2)c1.Nc1ccc2c(c1)CC(=O)N2.

What is the InChIKey of 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid?

The InChIKey is AGZGJVQSMYFQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S.C15H19N3O2S.C8H8N2O/c1-15-9-20(22(30)24-17-5-6-19-16(10-17)11-21(29)26-19)28(12-15)13-18-14-31-23(25-18)27-7-3-2-4-8-27;1-11-7-13(14(19)20)18(8-11)9-12-10-21-15(16-12)17-5-3-2-4-6-17;9-6-1-2-7-5(3-6)4-8(11)10-7/h5-6,9-10,12,14H,2-4,7-8,11,13H2,1H3,(H,24,30)(H,26,29);7-8,10H,2-6,9H2,1H3,(H,19,20);1-3H,4,9H2,(H,10,11).

What are the key properties of 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid?

5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid has a molecular weight of 889.12 g/mol, XLogP of 7.79, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1,3-dihydroindol-2-one;4-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide;4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 157112185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).