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

C26H29ClN6O4S — CID 11353459

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-methoxy-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-methoxy-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide (PubChem CID 11353459) has the molecular formula C26H29ClN6O4S and a molecular weight of 557.08 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-methoxy-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-methoxy-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide
• PubChem CID: 11353459
• Molecular Formula: C26H29ClN6O4S
• Molecular Weight: 557.08 g/mol
• Exact Mass: 556.17
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-methoxy-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide
• SMILES: CONC(=O)c1ccc2c(c1)c(C(=O)NC1CCN(C(C)C)CC1)nn2Cc1cc(-c2ccc(Cl)s2)on1
• InChI: InChI=1S/C26H29ClN6O4S/c1-15(2)32-10-8-17(9-11-32)28-26(35)24-19-12-16(25(34)31-36-3)4-5-20(19)33(29-24)14-18-13-21(37-30-18)22-6-7-23(27)38-22/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,28,35)(H,31,34)
• InChIKey: METYSDBNQSUNDQ-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 114.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.08
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', '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-methoxy-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-methoxy-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide (CID 11353459) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-methoxy-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-methoxy-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-methoxy-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide is CONC(=O)c1ccc2c(c1)c(C(=O)NC1CCN(C(C)C)CC1)nn2Cc1cc(-c2ccc(Cl)s2)on1.

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

The InChIKey is METYSDBNQSUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O4S/c1-15(2)32-10-8-17(9-11-32)28-26(35)24-19-12-16(25(34)31-36-3)4-5-20(19)33(29-24)14-18-13-21(37-30-18)22-6-7-23(27)38-22/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,28,35)(H,31,34).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-methoxy-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-methoxy-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide has a molecular weight of 557.08 g/mol, XLogP of 4.35, 8 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-methoxy-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide is sourced from PubChem (CID 11353459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).