2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine

C22H19N9OS — CID 141155831

About 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine

2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine (PubChem CID 141155831) has the molecular formula C22H19N9OS and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

• Compound Name: 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine
• PubChem CID: 141155831
• Molecular Formula: C22H19N9OS
• Molecular Weight: 457.52 g/mol
• Exact Mass: 457.14
• IUPAC Name: 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine
• SMILES: c1ccc(C2(c3nccs3)N(c3ncccn3)CCOC2(c2ccn[nH]2)c2ncc[nH]2)nc1
• InChI: InChI=1S/C22H19N9OS/c1-2-6-23-16(4-1)21(19-26-12-15-33-19)22(17-5-9-29-30-17,18-24-10-11-25-18)32-14-13-31(21)20-27-7-3-8-28-20/h1-12,15H,13-14H2,(H,24,25)(H,29,30)
• InChIKey: AETJRRAMELPEOJ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 121.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.52
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine?

The IUPAC name of 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine (CID 141155831) is 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine.

What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine?

The canonical SMILES for 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine is c1ccc(C2(c3nccs3)N(c3ncccn3)CCOC2(c2ccn[nH]2)c2ncc[nH]2)nc1.

What is the InChIKey of 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine?

The InChIKey is AETJRRAMELPEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N9OS/c1-2-6-23-16(4-1)21(19-26-12-15-33-19)22(17-5-9-29-30-17,18-24-10-11-25-18)32-14-13-31(21)20-27-7-3-8-28-20/h1-12,15H,13-14H2,(H,24,25)(H,29,30).

What are the key properties of 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine?

2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine has a molecular weight of 457.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 141155831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).