2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide

C23H20F4N6O3 — CID 136626317

IUPAC2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1OC(F)(F)F
InChIInChI=1S/C23H20F4N6O3/c24-14-2-1-3-18(36-23(25,26)27)19(14)22(34)31-17-11-28-32-20(17)21-29-15-5-4-13(10-16(15)30-21)12-33-6-8-35-9-7-33/h1-5,10-11H,6-9,12H2,(H,28,32)(H,29,30)(H,31,34)
InChIKeyXBRPVEJTGYJJMU-UHFFFAOYSA-N
MW504.44 g/mol
LogP4.08
Rot. Bonds6

About 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide

2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide (PubChem CID 136626317) has the molecular formula C23H20F4N6O3 and a molecular weight of 504.44 g/mol. Its IUPAC name is 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide
PubChem CID136626317
Molecular FormulaC23H20F4N6O3
Molecular Weight504.44 g/mol
Exact Mass504.15
IUPAC Name2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1OC(F)(F)F
InChIInChI=1S/C23H20F4N6O3/c24-14-2-1-3-18(36-23(25,26)27)19(14)22(34)31-17-11-28-32-20(17)21-29-15-5-4-13(10-16(15)30-21)12-33-6-8-35-9-7-33/h1-5,10-11H,6-9,12H2,(H,28,32)(H,29,30)(H,31,34)
InChIKeyXBRPVEJTGYJJMU-UHFFFAOYSA-N
XLogP4.08
TPSA108.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide?
The IUPAC name of 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide (CID 136626317) is 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide is O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1OC(F)(F)F.
What is the InChIKey of 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide?
The InChIKey is XBRPVEJTGYJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O3/c24-14-2-1-3-18(36-23(25,26)27)19(14)22(34)31-17-11-28-32-20(17)21-29-15-5-4-13(10-16(15)30-21)12-33-6-8-35-9-7-33/h1-5,10-11H,6-9,12H2,(H,28,32)(H,29,30)(H,31,34).
What are the key properties of 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide?
2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide has a molecular weight of 504.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-6-(trifluoromethoxy)benzamide is sourced from PubChem (CID 136626317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).