N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide

C22H22FN7O — CID 72699512

IUPACN-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C22H22FN7O/c1-3-29(22(31)18-6-4-5-7-21(18)30-25-11-12-26-30)16(2)15-28-13-10-20(27-28)19-9-8-17(23)14-24-19/h4-14,16H,3,15H2,1-2H3/t16-/m0/s1
InChIKeyGIIVJJWMFOMHDE-INIZCTEOSA-N
MW419.46 g/mol
LogP3.22
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide

N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide (PubChem CID 72699512) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
PubChem CID72699512
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC NameN-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C22H22FN7O/c1-3-29(22(31)18-6-4-5-7-21(18)30-25-11-12-26-30)16(2)15-28-13-10-20(27-28)19-9-8-17(23)14-24-19/h4-14,16H,3,15H2,1-2H3/t16-/m0/s1
InChIKeyGIIVJJWMFOMHDE-INIZCTEOSA-N
XLogP3.22
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide (CID 72699512) is N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide is CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)Cn1ccc(-c2ccc(F)cn2)n1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The InChIKey is GIIVJJWMFOMHDE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-3-29(22(31)18-6-4-5-7-21(18)30-25-11-12-26-30)16(2)15-28-13-10-20(27-28)19-9-8-17(23)14-24-19/h4-14,16H,3,15H2,1-2H3/t16-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide has a molecular weight of 419.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72699512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).