bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid

C68H65F3N18O9S — CID 161023156

About bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid

bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 161023156) has the molecular formula C68H65F3N18O9S and a molecular weight of 1367.45 g/mol. Its IUPAC name is bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 161023156
• Molecular Formula: C68H65F3N18O9S
• Molecular Weight: 1367.45 g/mol
• Exact Mass: 1366.49
• IUPAC Name: bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cnn(C3CCC3)c2)o1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cnn(C3CCC3)c2)o1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(O)C(F)(F)F
• InChI: InChI=1S/2C24H24N6O2.C18H16N6O3S.C2HF3O2/c2*31-24(22-11-10-21(32-22)16-13-26-29(14-16)17-5-3-6-17)27-20-15-30(18-7-4-8-18)28-23(20)19-9-1-2-12-25-19;25-17(15-2-1-14(27-15)11-7-20-21-8-11)22-13-9-24(12-3-5-26-10-12)23-16(13)18-19-4-6-28-18;3-2(4,5)1(6)7/h2*1-2,9-15,17-18H,3-8H2,(H,27,31);1-2,4,6-9,12H,3,5,10H2,(H,20,21)(H,22,25);(H,6,7)
• InChIKey: SDLRFYVKIYPNCD-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 329.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.45
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (CID 161023156) is bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cnn(C3CCC3)c2)o1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cnn(C3CCC3)c2)o1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(O)C(F)(F)F.

What is the InChIKey of bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is SDLRFYVKIYPNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H24N6O2.C18H16N6O3S.C2HF3O2/c2*31-24(22-11-10-21(32-22)16-13-26-29(14-16)17-5-3-6-17)27-20-15-30(18-7-4-8-18)28-23(20)19-9-1-2-12-25-19;25-17(15-2-1-14(27-15)11-7-20-21-8-11)22-13-9-24(12-3-5-26-10-12)23-16(13)18-19-4-6-28-18;3-2(4,5)1(6)7/h2*1-2,9-15,17-18H,3-8H2,(H,27,31);1-2,4,6-9,12H,3,5,10H2,(H,20,21)(H,22,25);(H,6,7).

What are the key properties of bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1367.45 g/mol, XLogP of 14.04, 17 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide);N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161023156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).