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

C29H37ClN6O3SSi — CID 11365527

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide (PubChem CID 11365527) has the molecular formula C29H37ClN6O3SSi and a molecular weight of 613.26 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide
• PubChem CID: 11365527
• Molecular Formula: C29H37ClN6O3SSi
• Molecular Weight: 613.26 g/mol
• Exact Mass: 612.21
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide
• SMILES: CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NC[Si](C)(C)C)cc23)CC1
• InChI: InChI=1S/C29H37ClN6O3SSi/c1-18(2)35-12-10-20(11-13-35)32-29(38)27-22-14-19(28(37)31-17-41(3,4)5)6-7-23(22)36(33-27)16-21-15-24(39-34-21)25-8-9-26(30)40-25/h6-9,14-15,18,20H,10-13,16-17H2,1-5H3,(H,31,37)(H,32,38)
• InChIKey: DXBGCZZEWNLPLB-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 105.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.26
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide (CID 11365527) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide.

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

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

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

The InChIKey is DXBGCZZEWNLPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN6O3SSi/c1-18(2)35-12-10-20(11-13-35)32-29(38)27-22-14-19(28(37)31-17-41(3,4)5)6-7-23(22)36(33-27)16-21-15-24(39-34-21)25-8-9-26(30)40-25/h6-9,14-15,18,20H,10-13,16-17H2,1-5H3,(H,31,37)(H,32,38).

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

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide has a molecular weight of 613.26 g/mol, XLogP of 5.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-N-(1-propan-2-ylpiperidin-4-yl)-5-N-(trimethylsilylmethyl)indazole-3,5-dicarboxamide is sourced from PubChem (CID 11365527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).