N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide

C22H20FN5O2 — CID 92603498

IUPACN-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccc(F)cc4)ncn3n2)c1
InChIInChI=1S/C22H20FN5O2/c1-14(25-21(29)11-15-4-3-5-18(10-15)30-2)22-26-20-12-19(24-13-28(20)27-22)16-6-8-17(23)9-7-16/h3-10,12-14H,11H2,1-2H3,(H,25,29)/t14-/m0/s1
InChIKeyZOLHPGOSNQLYHP-AWEZNQCLSA-N
MW405.43 g/mol
LogP3.36
Rot. Bonds6

About N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide

N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 92603498) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide
PubChem CID92603498
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccc(F)cc4)ncn3n2)c1
InChIInChI=1S/C22H20FN5O2/c1-14(25-21(29)11-15-4-3-5-18(10-15)30-2)22-26-20-12-19(24-13-28(20)27-22)16-6-8-17(23)9-7-16/h3-10,12-14H,11H2,1-2H3,(H,25,29)/t14-/m0/s1
InChIKeyZOLHPGOSNQLYHP-AWEZNQCLSA-N
XLogP3.36
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide
CID 92603541
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[(1R)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(4-methylphenoxy)propanamide
CID 110211548
N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methyl-3-thiophen-2-ylpropanamide
CID 110211584
2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide
CID 110211571
N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 110211568
N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
CID 71698710
(2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide
CID 92603557
N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 92605956
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803289
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide (CID 92603498) is N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccc(F)cc4)ncn3n2)c1.
What is the InChIKey of N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is ZOLHPGOSNQLYHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14(25-21(29)11-15-4-3-5-18(10-15)30-2)22-26-20-12-19(24-13-28(20)27-22)16-6-8-17(23)9-7-16/h3-10,12-14H,11H2,1-2H3,(H,25,29)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide?
N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 405.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 92603498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).