6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide

C26H28N4O4 — CID 164554527

About 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide

6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide (PubChem CID 164554527) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide
• PubChem CID: 164554527
• Molecular Formula: C26H28N4O4
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide
• SMILES: CC12CC(n3cc4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC5CCC5)cc4n3)(CO1)C2
• InChI: InChI=1S/C26H28N4O4/c1-25-13-26(14-25,15-33-25)30-12-16-10-19(22(11-21(16)28-30)34-18-4-2-5-18)23(31)27-20-6-3-9-29(24(20)32)17-7-8-17/h3,6,9-12,17-18H,2,4-5,7-8,13-15H2,1H3,(H,27,31)
• InChIKey: FYCUBWKYLFDBHF-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?

The IUPAC name of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide (CID 164554527) is 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide.

What is the SMILES notation for 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?

The canonical SMILES for 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide is CC12CC(n3cc4cc(C(=O)Nc5cccn(C6CC6)c5=O)c(OC5CCC5)cc4n3)(CO1)C2.

What is the InChIKey of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?

The InChIKey is FYCUBWKYLFDBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-25-13-26(14-25,15-33-25)30-12-16-10-19(22(11-21(16)28-30)34-18-4-2-5-18)23(31)27-20-6-3-9-29(24(20)32)17-7-8-17/h3,6,9-12,17-18H,2,4-5,7-8,13-15H2,1H3,(H,27,31).

What are the key properties of 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide?

6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide is sourced from PubChem (CID 164554527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).