2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole

C30H23N9OS2 — CID 141151192

About 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole

2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole (PubChem CID 141151192) has the molecular formula C30H23N9OS2 and a molecular weight of 589.71 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole
• PubChem CID: 141151192
• Molecular Formula: C30H23N9OS2
• Molecular Weight: 589.71 g/mol
• Exact Mass: 589.15
• IUPAC Name: 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole
• SMILES: c1ccc(C2(c3ccco3)N(c3ncc[nH]3)C(c3nccs3)=C(c3ccc[nH]3)C(c3ccn[nH]3)N2c2cccs2)nc1
• InChI: InChI=1S/C30H23N9OS2/c1-2-11-32-22(7-1)30(23-8-4-17-40-23)38(24-9-5-18-41-24)26(21-10-13-36-37-21)25(20-6-3-12-31-20)27(28-33-16-19-42-28)39(30)29-34-14-15-35-29/h1-19,26,31H,(H,34,35)(H,36,37)
• InChIKey: GFOVKWMGHVXERS-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 118.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.71
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole?

The IUPAC name of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole (CID 141151192) is 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole.

What is the SMILES notation for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole?

The canonical SMILES for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole is c1ccc(C2(c3ccco3)N(c3ncc[nH]3)C(c3nccs3)=C(c3ccc[nH]3)C(c3ccn[nH]3)N2c2cccs2)nc1.

What is the InChIKey of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole?

The InChIKey is GFOVKWMGHVXERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N9OS2/c1-2-11-32-22(7-1)30(23-8-4-17-40-23)38(24-9-5-18-41-24)26(21-10-13-36-37-21)25(20-6-3-12-31-20)27(28-33-16-19-42-28)39(30)29-34-14-15-35-29/h1-19,26,31H,(H,34,35)(H,36,37).

What are the key properties of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole?

2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole has a molecular weight of 589.71 g/mol, XLogP of 6.50, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-thiazole is sourced from PubChem (CID 141151192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).