N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide

C23H18FN7O — CID 86281565

IUPACN-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ncccc2F)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)n1
InChIInChI=1S/C23H18FN7O/c1-14(32)28-21-9-16(23-18(24)4-3-7-25-23)10-22(29-21)31-13-26-19-8-15(5-6-20(19)31)17-11-27-30(2)12-17/h3-13H,1-2H3,(H,28,29,32)
InChIKeyOBYOJQJHNCPGKO-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide

N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide (PubChem CID 86281565) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide
PubChem CID86281565
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC NameN-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ncccc2F)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)n1
InChIInChI=1S/C23H18FN7O/c1-14(32)28-21-9-16(23-18(24)4-3-7-25-23)10-22(29-21)31-13-26-19-8-15(5-6-20(19)31)17-11-27-30(2)12-17/h3-13H,1-2H3,(H,28,29,32)
InChIKeyOBYOJQJHNCPGKO-UHFFFAOYSA-N
XLogP3.98
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide (CID 86281565) is N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ncccc2F)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)n1.
What is the InChIKey of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide?
The InChIKey is OBYOJQJHNCPGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c1-14(32)28-21-9-16(23-18(24)4-3-7-25-23)10-22(29-21)31-13-26-19-8-15(5-6-20(19)31)17-11-27-30(2)12-17/h3-13H,1-2H3,(H,28,29,32).
What are the key properties of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide?
N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide has a molecular weight of 427.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 86281565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).