N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

C26H31ClN6O4 — CID 162329642

About N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 162329642) has the molecular formula C26H31ClN6O4 and a molecular weight of 527.03 g/mol. Its IUPAC name is N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
• PubChem CID: 162329642
• Molecular Formula: C26H31ClN6O4
• Molecular Weight: 527.03 g/mol
• Exact Mass: 526.21
• IUPAC Name: N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
• SMILES: COCCCn1ncc2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(O)CC3)cc21.Cl
• InChI: InChI=1S/C26H30N6O4.ClH/c1-17-12-18(4-7-27-17)26-30-22(16-36-26)25(34)29-21-13-19-15-28-32(8-3-11-35-2)23(19)14-24(21)31-9-5-20(33)6-10-31;/h4,7,12-16,20,33H,3,5-6,8-11H2,1-2H3,(H,29,34);1H
• InChIKey: KWHXTTNTUMQHNX-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 118.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.03
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?

The IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 162329642) is N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?

The canonical SMILES for N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is COCCCn1ncc2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(O)CC3)cc21.Cl.

What is the InChIKey of N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?

The InChIKey is KWHXTTNTUMQHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4.ClH/c1-17-12-18(4-7-27-17)26-30-22(16-36-26)25(34)29-21-13-19-15-28-32(8-3-11-35-2)23(19)14-24(21)31-9-5-20(33)6-10-31;/h4,7,12-16,20,33H,3,5-6,8-11H2,1-2H3,(H,29,34);1H.

What are the key properties of N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?

N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 527.03 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 162329642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).