N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide

C20H15F3N6O2 — CID 24750796

IUPACN-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4cccnc4C)cn3)c2c1
InChIInChI=1S/C20H15F3N6O2/c1-11-13(4-3-7-24-11)18(30)28-16-9-26-17(10-25-16)29-15-8-12(31-2)5-6-14(15)27-19(29)20(21,22)23/h3-10H,1-2H3,(H,25,28,30)
InChIKeyRMNYDBJHFUGGBC-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.80
Rot. Bonds4

About N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide

N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide (PubChem CID 24750796) has the molecular formula C20H15F3N6O2 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide
PubChem CID24750796
Molecular FormulaC20H15F3N6O2
Molecular Weight428.37 g/mol
Exact Mass428.12
IUPAC NameN-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4cccnc4C)cn3)c2c1
InChIInChI=1S/C20H15F3N6O2/c1-11-13(4-3-7-24-11)18(30)28-16-9-26-17(10-25-16)29-15-8-12(31-2)5-6-14(15)27-19(29)20(21,22)23/h3-10H,1-2H3,(H,25,28,30)
InChIKeyRMNYDBJHFUGGBC-UHFFFAOYSA-N
XLogP3.80
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide (CID 24750796) is N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide is COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4cccnc4C)cn3)c2c1.
What is the InChIKey of N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is RMNYDBJHFUGGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O2/c1-11-13(4-3-7-24-11)18(30)28-16-9-26-17(10-25-16)29-15-8-12(31-2)5-6-14(15)27-19(29)20(21,22)23/h3-10H,1-2H3,(H,25,28,30).
What are the key properties of N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide?
N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 24750796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).