N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide

C24H23FN6O — CID 57389723

IUPACN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-c1ncccn1
InChIInChI=1S/C24H23FN6O/c1-3-30(13-14-31-12-9-22(29-31)21-8-6-18(25)16-28-21)24(32)20-15-17(2)5-7-19(20)23-26-10-4-11-27-23/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyUWSKCHSHSADTPE-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.01
Rot. Bonds7

About N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide

N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide (PubChem CID 57389723) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
PubChem CID57389723
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-c1ncccn1
InChIInChI=1S/C24H23FN6O/c1-3-30(13-14-31-12-9-22(29-31)21-8-6-18(25)16-28-21)24(32)20-15-17(2)5-7-19(20)23-26-10-4-11-27-23/h4-12,15-16H,3,13-14H2,1-2H3
InChIKeyUWSKCHSHSADTPE-UHFFFAOYSA-N
XLogP4.01
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide (CID 57389723) is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide is CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-c1ncccn1.
What is the InChIKey of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is UWSKCHSHSADTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-3-30(13-14-31-12-9-22(29-31)21-8-6-18(25)16-28-21)24(32)20-15-17(2)5-7-19(20)23-26-10-4-11-27-23/h4-12,15-16H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 430.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 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-methyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 57389723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).