N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide

C97H90F6N30O18S3 — CID 158184680

About N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide

N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 158184680) has the molecular formula C97H90F6N30O18S3 and a molecular weight of 2174.17 g/mol. Its IUPAC name is N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 158184680
• Molecular Formula: C97H90F6N30O18S3
• Molecular Weight: 2174.17 g/mol
• Exact Mass: 2172.61
• IUPAC Name: N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide
• SMILES: CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3cccc(C(F)(F)F)n3)n2)C1.CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn(CC(F)(F)F)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
• InChI: InChI=1S/C23H21F3N6O3.C18H13F3N6O2.C18H16N6O3S.2C18H18N6O3S.2CH2O2/c1-2-34-15-8-14(9-15)32-12-17(21(31-32)16-4-3-5-20(29-16)23(24,25)26)30-22(33)19-7-6-18(35-19)13-10-27-28-11-13;19-18(20,21)10-27-9-13(16(26-27)12-3-1-2-6-22-12)25-17(28)15-5-4-14(29-15)11-7-23-24-8-11;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;2*1-2-26-7-6-24-11-13(16(23-24)18-19-5-8-28-18)22-17(25)15-4-3-14(27-15)12-9-20-21-10-12;2*2-1-3/h3-7,10-12,14-15H,2,8-9H2,1H3,(H,27,28)(H,30,33);1-9H,10H2,(H,23,24)(H,25,28);1-2,4,6-9,12H,3,5,10H2,(H,20,21)(H,22,25);2*3-5,8-11H,2,6-7H2,1H3,(H,20,21)(H,22,25);2*1H,(H,2,3)
• InChIKey: FYZTYVZNJZVDOG-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 619.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.17
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide (CID 158184680) is N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide is CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3cccc(C(F)(F)F)n3)n2)C1.CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn(CC(F)(F)F)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO.

What is the InChIKey of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is FYZTYVZNJZVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3.C18H13F3N6O2.C18H16N6O3S.2C18H18N6O3S.2CH2O2/c1-2-34-15-8-14(9-15)32-12-17(21(31-32)16-4-3-5-20(29-16)23(24,25)26)30-22(33)19-7-6-18(35-19)13-10-27-28-11-13;19-18(20,21)10-27-9-13(16(26-27)12-3-1-2-6-22-12)25-17(28)15-5-4-14(29-15)11-7-23-24-8-11;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;2*1-2-26-7-6-24-11-13(16(23-24)18-19-5-8-28-18)22-17(25)15-4-3-14(27-15)12-9-20-21-10-12;2*2-1-3/h3-7,10-12,14-15H,2,8-9H2,1H3,(H,27,28)(H,30,33);1-9H,10H2,(H,23,24)(H,25,28);1-2,4,6-9,12H,3,5,10H2,(H,20,21)(H,22,25);2*3-5,8-11H,2,6-7H2,1H3,(H,20,21)(H,22,25);2*1H,(H,2,3).

What are the key properties of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide?

N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 2174.17 g/mol, XLogP of 17.84, 33 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 158184680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).