2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide

C26H32N4O3 — CID 123365370

About 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide

2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide (PubChem CID 123365370) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
• PubChem CID: 123365370
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
• SMILES: COCCNC(=O)c1ccc2nn(CC3CN(C(=O)C4=CC=C(C5CC5)CC4)C3)cc2c1C
• InChI: InChI=1S/C26H32N4O3/c1-17-22(25(31)27-11-12-33-2)9-10-24-23(17)16-30(28-24)15-18-13-29(14-18)26(32)21-7-5-20(6-8-21)19-3-4-19/h5,7,9-10,16,18-19H,3-4,6,8,11-15H2,1-2H3,(H,27,31)
• InChIKey: WKJNVWWMKBUKCK-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?

The IUPAC name of 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide (CID 123365370) is 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide.

What is the SMILES notation for 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?

The canonical SMILES for 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide is COCCNC(=O)c1ccc2nn(CC3CN(C(=O)C4=CC=C(C5CC5)CC4)C3)cc2c1C.

What is the InChIKey of 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?

The InChIKey is WKJNVWWMKBUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17-22(25(31)27-11-12-33-2)9-10-24-23(17)16-30(28-24)15-18-13-29(14-18)26(32)21-7-5-20(6-8-21)19-3-4-19/h5,7,9-10,16,18-19H,3-4,6,8,11-15H2,1-2H3,(H,27,31).

What are the key properties of 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?

2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide is sourced from PubChem (CID 123365370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).