5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide

C21H15F4N5O2 — CID 71010105

IUPAC5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C21H15F4N5O2/c1-11-14(9-26-10-15(11)22)19(31)28-12-3-6-18(27-8-12)30-17-5-4-13(32-2)7-16(17)29-20(30)21(23,24)25/h3-10H,1-2H3,(H,28,31)
InChIKeyQHGZSJFWOUQVKV-UHFFFAOYSA-N
MW445.38 g/mol
LogP4.54
Rot. Bonds4

About 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010105) has the molecular formula C21H15F4N5O2 and a molecular weight of 445.38 g/mol. Its IUPAC name is 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010105
Molecular FormulaC21H15F4N5O2
Molecular Weight445.38 g/mol
Exact Mass445.12
IUPAC Name5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C21H15F4N5O2/c1-11-14(9-26-10-15(11)22)19(31)28-12-3-6-18(27-8-12)30-17-5-4-13(32-2)7-16(17)29-20(30)21(23,24)25/h3-10H,1-2H3,(H,28,31)
InChIKeyQHGZSJFWOUQVKV-UHFFFAOYSA-N
XLogP4.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010105) is 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cncc(F)c2C)cn1.
What is the InChIKey of 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is QHGZSJFWOUQVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O2/c1-11-14(9-26-10-15(11)22)19(31)28-12-3-6-18(27-8-12)30-17-5-4-13(32-2)7-16(17)29-20(30)21(23,24)25/h3-10H,1-2H3,(H,28,31).
What are the key properties of 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 445.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).