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

C22H22FN7O2 — CID 57389318

IUPACN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(OC)ccc1-n1nccn1
InChIInChI=1S/C22H22FN7O2/c1-3-28(12-13-29-11-8-20(27-29)19-6-4-16(23)15-24-19)22(31)18-14-17(32-2)5-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyLHSVHRGAIRMAOZ-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.84
Rot. Bonds8

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

N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide (PubChem CID 57389318) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide
PubChem CID57389318
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(OC)ccc1-n1nccn1
InChIInChI=1S/C22H22FN7O2/c1-3-28(12-13-29-11-8-20(27-29)19-6-4-16(23)15-24-19)22(31)18-14-17(32-2)5-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyLHSVHRGAIRMAOZ-UHFFFAOYSA-N
XLogP2.84
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide (CID 57389318) is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide is CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(OC)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide?
The InChIKey is LHSVHRGAIRMAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-3-28(12-13-29-11-8-20(27-29)19-6-4-16(23)15-24-19)22(31)18-14-17(32-2)5-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide has a molecular weight of 435.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methoxy-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57389318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).