morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

C20H28N4O2S — CID 26231913

About morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 26231913) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

• Compound Name: morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
• PubChem CID: 26231913
• Molecular Formula: C20H28N4O2S
• Molecular Weight: 388.54 g/mol
• Exact Mass: 388.19
• IUPAC Name: morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
• SMILES: CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cccs1)C2
• InChI: InChI=1S/C20H28N4O2S/c1-2-7-24-18-6-5-15(21-14-16-4-3-12-27-16)13-17(18)19(22-24)20(25)23-8-10-26-11-9-23/h3-4,12,15,21H,2,5-11,13-14H2,1H3/t15-/m0/s1
• InChIKey: HNFYBVWFNQPQSS-HNNXBMFYSA-N
• XLogP: 2.47
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.54
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

The IUPAC name of morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 26231913) is morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone.

What is the SMILES notation for morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

The canonical SMILES for morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone is CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cccs1)C2.

What is the InChIKey of morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

The InChIKey is HNFYBVWFNQPQSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-2-7-24-18-6-5-15(21-14-16-4-3-12-27-16)13-17(18)19(22-24)20(25)23-8-10-26-11-9-23/h3-4,12,15,21H,2,5-11,13-14H2,1H3/t15-/m0/s1.

What are the key properties of morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 388.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for morpholin-4-yl-[(5S)-1-propyl-5-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 26231913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).