N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

C23H24FN7O — CID 72700457

IUPACN-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCC[C@@H](Cn1ccc(-c2ccc(F)cn2)n1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H24FN7O/c1-4-18(15-30-12-9-21(28-30)20-7-6-17(24)14-25-20)29(3)23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31/h5-14,18H,4,15H2,1-3H3/t18-/m0/s1
InChIKeyVFSSJHGGWPJHRS-SFHVURJKSA-N
MW433.49 g/mol
LogP3.52
Rot. Bonds7

About N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (PubChem CID 72700457) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
PubChem CID72700457
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC NameN-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCC[C@@H](Cn1ccc(-c2ccc(F)cn2)n1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H24FN7O/c1-4-18(15-30-12-9-21(28-30)20-7-6-17(24)14-25-20)29(3)23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31/h5-14,18H,4,15H2,1-3H3/t18-/m0/s1
InChIKeyVFSSJHGGWPJHRS-SFHVURJKSA-N
XLogP3.52
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (CID 72700457) is N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is CC[C@@H](Cn1ccc(-c2ccc(F)cn2)n1)N(C)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The InChIKey is VFSSJHGGWPJHRS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-4-18(15-30-12-9-21(28-30)20-7-6-17(24)14-25-20)29(3)23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31/h5-14,18H,4,15H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72700457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).