1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide

C26H26ClN7O3S — CID 134154310

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide (PubChem CID 134154310) has the molecular formula C26H26ClN7O3S and a molecular weight of 552.06 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide
• PubChem CID: 134154310
• Molecular Formula: C26H26ClN7O3S
• Molecular Weight: 552.06 g/mol
• Exact Mass: 551.15
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide
• SMILES: CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NC#N)cc23)CC1
• InChI: InChI=1S/C26H26ClN7O3S/c1-15(2)33-9-7-17(8-10-33)30-26(36)24-19-11-16(25(35)29-14-28)3-4-20(19)34(31-24)13-18-12-21(37-32-18)22-5-6-23(27)38-22/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,29,35)(H,30,36)
• InChIKey: GPRXTQVZUIPWGU-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 129.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.06
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide (CID 134154310) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide.

What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide is CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NC#N)cc23)CC1.

What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

The InChIKey is GPRXTQVZUIPWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O3S/c1-15(2)33-9-7-17(8-10-33)30-26(36)24-19-11-16(25(35)29-14-28)3-4-20(19)34(31-24)13-18-12-21(37-32-18)22-5-6-23(27)38-22/h3-6,11-12,15,17H,7-10,13H2,1-2H3,(H,29,35)(H,30,36).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide has a molecular weight of 552.06 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-cyano-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide is sourced from PubChem (CID 134154310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).