3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide

C39H27F7N12O4 — CID 159084403

IUPAC3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2C)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C20H15F3N6O2.C19H12F4N6O2/c1-11-8-24-6-5-13(11)18(30)28-16-9-26-17(10-25-16)29-15-4-3-12(31-2)7-14(15)27-19(29)20(21,22)23;1-31-10-2-3-14-13(6-10)27-18(19(21,22)23)29(14)16-9-25-15(8-26-16)28-17(30)11-4-5-24-7-12(11)20/h3-10H,1-2H3,(H,25,28,30);2-9H,1H3,(H,25,28,30)
InChIKeyKBGNHHFKAYSVJT-UHFFFAOYSA-N
MW860.71 g/mol
LogP7.43
Rot. Bonds8

About 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide

3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide (PubChem CID 159084403) has the molecular formula C39H27F7N12O4 and a molecular weight of 860.71 g/mol. Its IUPAC name is 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
PubChem CID159084403
Molecular FormulaC39H27F7N12O4
Molecular Weight860.71 g/mol
Exact Mass860.22
IUPAC Name3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2C)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C20H15F3N6O2.C19H12F4N6O2/c1-11-8-24-6-5-13(11)18(30)28-16-9-26-17(10-25-16)29-15-4-3-12(31-2)7-14(15)27-19(29)20(21,22)23;1-31-10-2-3-14-13(6-10)27-18(19(21,22)23)29(14)16-9-25-15(8-26-16)28-17(30)11-4-5-24-7-12(11)20/h3-10H,1-2H3,(H,25,28,30);2-9H,1H3,(H,25,28,30)
InChIKeyKBGNHHFKAYSVJT-UHFFFAOYSA-N
XLogP7.43
TPSA189.64 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.71
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 11476663
1-Piperazineacetamide, 4-ethyl-N-[4-[[2-[[2-fluoro-5-(trifluoromethyl)phenyl]amino]-1-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]-
CID 11387552
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
CID 11433057
N-[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568477
N-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568638
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 59790182
[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(pyrazin-2-ylmethyl)piperazin-1-yl]-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]methanone
CID 156017303
[(2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]methanone
CID 156018212
5,7-Dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone
CID 164609015
8-methoxy-N-pyridin-2-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
CID 164611370
8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
CID 164614445
N-(4-(2,5-dimethoxy-1H-benzo[d]imidazol-1-yl)phenyl)-5-fluoro-4-methylnicotinamide
CID 70978178

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide (CID 159084403) is 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2C)cn1.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2F)cn1.
What is the InChIKey of 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is KBGNHHFKAYSVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2.C19H12F4N6O2/c1-11-8-24-6-5-13(11)18(30)28-16-9-26-17(10-25-16)29-15-4-3-12(31-2)7-14(15)27-19(29)20(21,22)23;1-31-10-2-3-14-13(6-10)27-18(19(21,22)23)29(14)16-9-25-15(8-26-16)28-17(30)11-4-5-24-7-12(11)20/h3-10H,1-2H3,(H,25,28,30);2-9H,1H3,(H,25,28,30).
What are the key properties of 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 860.71 g/mol, XLogP of 7.43, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 159084403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).