N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C41H34F3N11O7 — CID 158442150

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 158442150) has the molecular formula C41H34F3N11O7 and a molecular weight of 849.79 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
• PubChem CID: 158442150
• Molecular Formula: C41H34F3N11O7
• Molecular Weight: 849.79 g/mol
• Exact Mass: 849.26
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C(F)(F)F)o1.O=C(Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1)c1cccc2c1OCCO2
• InChI: InChI=1S/C24H22N6O5.C17H12F3N5O2/c31-23(15-2-1-3-19-21(15)35-11-10-34-19)28-18-13-25-29-20(18)22-26-16-5-4-14(12-17(16)27-22)24(32)30-6-8-33-9-7-30;1-8-6-9(14(27-8)17(18,19)20)16(26)24-12-7-21-25-13(12)15-22-10-4-2-3-5-11(10)23-15/h1-5,12-13H,6-11H2,(H,25,29)(H,26,27)(H,28,31);2-7H,1H3,(H,21,25)(H,22,23)(H,24,26)
• InChIKey: HCYIRJYLCGUKNO-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 234.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	849.79
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 158442150) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)c(C(F)(F)F)o1.O=C(Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1)c1cccc2c1OCCO2.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

The InChIKey is HCYIRJYLCGUKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O5.C17H12F3N5O2/c31-23(15-2-1-3-19-21(15)35-11-10-34-19)28-18-13-25-29-20(18)22-26-16-5-4-14(12-17(16)27-22)24(32)30-6-8-33-9-7-30;1-8-6-9(14(27-8)17(18,19)20)16(26)24-12-7-21-25-13(12)15-22-10-4-2-3-5-11(10)23-15/h1-5,12-13H,6-11H2,(H,25,29)(H,26,27)(H,28,31);2-7H,1H3,(H,21,25)(H,22,23)(H,24,26).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 849.79 g/mol, XLogP of 6.57, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 158442150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).