5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C₂₈H₃₁N₅O₂ — CID 127037292

About 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 127037292) has the molecular formula C₂₈H₃₁N₅O₂ and a molecular weight of 469.59 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
• PubChem CID: 127037292
• Molecular Formula: C₂₈H₃₁N₅O₂
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.25
• IUPAC Name: 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
• SMILES: COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccccc4)CC3)c2c1
• InChI: InChI=1S/C28H31N5O2/c1-35-26-9-13-29-19-24(26)22-7-8-25-23(17-22)27(32-31-25)28(34)30-18-21-11-15-33(16-12-21)14-10-20-5-3-2-4-6-20/h2-9,13,17,19,21H,10-12,14-16,18H2,1H3,(H,30,34)(H,31,32)
• InChIKey: SWKXIDUZBHFSRB-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 127037292) is 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccccc4)CC3)c2c1.

What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?

The InChIKey is SWKXIDUZBHFSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-35-26-9-13-29-19-24(26)22-7-8-25-23(17-22)27(32-31-25)28(34)30-18-21-11-15-33(16-12-21)14-10-20-5-3-2-4-6-20/h2-9,13,17,19,21H,10-12,14-16,18H2,1H3,(H,30,34)(H,31,32).

What are the key properties of 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?

5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxy-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127037292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 127037292 — identifiers, structure, computed properties (public domain)

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