5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide

C91H70F8N16O13 — CID 158448027

IUPAC5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3(F)F)o2)c(F)cn1.O=C(Nc1c(O)cccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.O=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.O=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1
InChIInChI=1S/C25H20F4N4O2.C23H17F2N3O4.C22H17FN4O4.C21H16FN5O3/c1-14-11-18(17(27)12-30-14)32-24(34)20-9-8-19(35-20)23-22(15-4-6-16(26)7-5-15)31-13-33(23)21-3-2-10-25(21,28)29;24-14-6-4-13(5-7-14)20-22(28(12-26-20)15-10-31-11-15)18-8-9-19(32-18)23(30)27-21-16(25)2-1-3-17(21)29;23-14-3-1-13(2-4-14)20-21(27(12-25-20)16-10-30-11-16)17-5-6-18(31-17)22(29)26-15-7-8-24-19(28)9-15;22-14-3-1-13(2-4-14)19-20(27(12-25-19)15-9-29-10-15)16-5-6-17(30-16)21(28)26-18-7-8-23-11-24-18/h4-9,11-13,21H,2-3,10H2,1H3,(H,30,32,34);1-9,12,15,29H,10-11H2,(H,27,30);1-9,12,16H,10-11H2,(H2,24,26,28,29);1-8,11-12,15H,9-10H2,(H,23,24,26,28)
InChIKeyHDPZPWZXIBWWLH-UHFFFAOYSA-N
MW1747.64 g/mol
LogP18.05
Rot. Bonds20

About 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide

5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide (PubChem CID 158448027) has the molecular formula C91H70F8N16O13 and a molecular weight of 1747.64 g/mol. Its IUPAC name is 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
PubChem CID158448027
Molecular FormulaC91H70F8N16O13
Molecular Weight1747.64 g/mol
Exact Mass1746.52
IUPAC Name5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3(F)F)o2)c(F)cn1.O=C(Nc1c(O)cccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.O=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.O=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1
InChIInChI=1S/C25H20F4N4O2.C23H17F2N3O4.C22H17FN4O4.C21H16FN5O3/c1-14-11-18(17(27)12-30-14)32-24(34)20-9-8-19(35-20)23-22(15-4-6-16(26)7-5-15)31-13-33(23)21-3-2-10-25(21,28)29;24-14-6-4-13(5-7-14)20-22(28(12-26-20)15-10-31-11-15)18-8-9-19(32-18)23(30)27-21-16(25)2-1-3-17(21)29;23-14-3-1-13(2-4-14)20-21(27(12-25-20)16-10-30-11-16)17-5-6-18(31-17)22(29)26-15-7-8-24-19(28)9-15;22-14-3-1-13(2-4-14)19-20(27(12-25-19)15-9-29-10-15)16-5-6-17(30-16)21(28)26-18-7-8-23-11-24-18/h4-9,11-13,21H,2-3,10H2,1H3,(H,30,32,34);1-9,12,15,29H,10-11H2,(H,27,30);1-9,12,16H,10-11H2,(H2,24,26,28,29);1-8,11-12,15H,9-10H2,(H,23,24,26,28)
InChIKeyHDPZPWZXIBWWLH-UHFFFAOYSA-N
XLogP18.05
TPSA359.69 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001747.64
LogP ≤ 518.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide (CID 158448027) is 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3(F)F)o2)c(F)cn1.O=C(Nc1c(O)cccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.O=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.O=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.
What is the InChIKey of 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The InChIKey is HDPZPWZXIBWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O2.C23H17F2N3O4.C22H17FN4O4.C21H16FN5O3/c1-14-11-18(17(27)12-30-14)32-24(34)20-9-8-19(35-20)23-22(15-4-6-16(26)7-5-15)31-13-33(23)21-3-2-10-25(21,28)29;24-14-6-4-13(5-7-14)20-22(28(12-26-20)15-10-31-11-15)18-8-9-19(32-18)23(30)27-21-16(25)2-1-3-17(21)29;23-14-3-1-13(2-4-14)20-21(27(12-25-20)16-10-30-11-16)17-5-6-18(31-17)22(29)26-15-7-8-24-19(28)9-15;22-14-3-1-13(2-4-14)19-20(27(12-25-19)15-9-29-10-15)16-5-6-17(30-16)21(28)26-18-7-8-23-11-24-18/h4-9,11-13,21H,2-3,10H2,1H3,(H,30,32,34);1-9,12,15,29H,10-11H2,(H,27,30);1-9,12,16H,10-11H2,(H2,24,26,28,29);1-8,11-12,15H,9-10H2,(H,23,24,26,28).
What are the key properties of 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide has a molecular weight of 1747.64 g/mol, XLogP of 18.05, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 158448027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).