[(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C22H38N4O3 — CID 26227028

About [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 26227028) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
• PubChem CID: 26227028
• Molecular Formula: C22H38N4O3
• Molecular Weight: 406.57 g/mol
• Exact Mass: 406.29
• IUPAC Name: [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
• SMILES: CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCCOC(C)C)C2
• InChI: InChI=1S/C22H38N4O3/c1-16(2)15-26-20-7-6-18(23-8-5-11-29-17(3)4)14-19(20)21(24-26)22(27)25-9-12-28-13-10-25/h16-18,23H,5-15H2,1-4H3/t18-/m1/s1
• InChIKey: QWWXXUABDCANFE-GOSISDBHSA-N
• XLogP: 2.27
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.57
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

The IUPAC name of [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 26227028) is [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCCOC(C)C)C2.

What is the InChIKey of [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

The InChIKey is QWWXXUABDCANFE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-16(2)15-26-20-7-6-18(23-8-5-11-29-17(3)4)14-19(20)21(24-26)22(27)25-9-12-28-13-10-25/h16-18,23H,5-15H2,1-4H3/t18-/m1/s1.

What are the key properties of [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?

[(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 406.57 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26227028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).