2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole

C32H34N8OS2 — CID 141340997

About 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole

2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole (PubChem CID 141340997) has the molecular formula C32H34N8OS2 and a molecular weight of 610.81 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole
• PubChem CID: 141340997
• Molecular Formula: C32H34N8OS2
• Molecular Weight: 610.81 g/mol
• Exact Mass: 610.23
• IUPAC Name: 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole
• SMILES: C1=CN(C2(c3cccs3)C(c3ccco3)N(c3ncccn3)N(c3nccs3)C2(c2ccc[nH]2)N2CCCCC2)CCC1
• InChI: InChI=1S/C32H34N8OS2/c1-3-18-37(19-4-1)31(27-13-9-23-42-27)28(25-11-8-22-41-25)39(29-34-15-10-16-35-29)40(30-36-17-24-43-30)32(31,26-12-7-14-33-26)38-20-5-2-6-21-38/h3,7-18,22-24,28,33H,1-2,4-6,19-21H2
• InChIKey: JIZZVYBKQMXOKP-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 80.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.81
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole?

The IUPAC name of 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole (CID 141340997) is 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole.

What is the SMILES notation for 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole?

The canonical SMILES for 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole is C1=CN(C2(c3cccs3)C(c3ccco3)N(c3ncccn3)N(c3nccs3)C2(c2ccc[nH]2)N2CCCCC2)CCC1.

What is the InChIKey of 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole?

The InChIKey is JIZZVYBKQMXOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8OS2/c1-3-18-37(19-4-1)31(27-13-9-23-42-27)28(25-11-8-22-41-25)39(29-34-15-10-16-35-29)40(30-36-17-24-43-30)32(31,26-12-7-14-33-26)38-20-5-2-6-21-38/h3,7-18,22-24,28,33H,1-2,4-6,19-21H2.

What are the key properties of 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole?

2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole has a molecular weight of 610.81 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-dihydro-2H-pyridin-1-yl)-3-(furan-2-yl)-5-piperidin-1-yl-2-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 141340997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).