2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole

C36H31N7OS — CID 141072642

About 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole

2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole (PubChem CID 141072642) has the molecular formula C36H31N7OS and a molecular weight of 609.76 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole.

Molecular Properties

• Compound Name: 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole
• PubChem CID: 141072642
• Molecular Formula: C36H31N7OS
• Molecular Weight: 609.76 g/mol
• Exact Mass: 609.23
• IUPAC Name: 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole
• SMILES: c1c[nH]c(C2=C(c3cccs3)C(c3cc4ccccc4[nH]3)(c3ccco3)C(c3ncc[nH]3)C(N3CCCC3)=C2c2ccn[nH]2)c1
• InChI: InChI=1S/C36H31N7OS/c1-2-9-24-23(8-1)22-28(41-24)36(29-12-6-20-44-29)32(27-11-7-21-45-27)30(25-10-5-14-37-25)31(26-13-15-40-42-26)34(43-18-3-4-19-43)33(36)35-38-16-17-39-35/h1-2,5-17,20-22,33,37,41H,3-4,18-19H2,(H,38,39)(H,40,42)
• InChIKey: MUZTVSQBZOSVKO-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 105.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.76
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole?

The IUPAC name of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole (CID 141072642) is 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole.

What is the SMILES notation for 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole?

The canonical SMILES for 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole is c1c[nH]c(C2=C(c3cccs3)C(c3cc4ccccc4[nH]3)(c3ccco3)C(c3ncc[nH]3)C(N3CCCC3)=C2c2ccn[nH]2)c1.

What is the InChIKey of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole?

The InChIKey is MUZTVSQBZOSVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N7OS/c1-2-9-24-23(8-1)22-28(41-24)36(29-12-6-20-44-29)32(27-11-7-21-45-27)30(25-10-5-14-37-25)31(26-13-15-40-42-26)34(43-18-3-4-19-43)33(36)35-38-16-17-39-35/h1-2,5-17,20-22,33,37,41H,3-4,18-19H2,(H,38,39)(H,40,42).

What are the key properties of 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole?

2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole has a molecular weight of 609.76 g/mol, XLogP of 7.80, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1H-indole is sourced from PubChem (CID 141072642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).