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

C22H19F2N5O2 — CID 92603557

IUPAC(2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1nc2cc(-c3ccccc3F)ncn2n1
InChIInChI=1S/C22H19F2N5O2/c1-13(26-22(30)14(2)31-16-7-5-6-15(23)10-16)21-27-20-11-19(25-12-29(20)28-21)17-8-3-4-9-18(17)24/h3-14H,1-2H3,(H,26,30)/t13-,14-/m0/s1
InChIKeyOFUYSILIEYVSTO-KBPBESRZSA-N
MW423.42 g/mol
LogP3.71
Rot. Bonds6

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

(2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide (PubChem CID 92603557) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide
PubChem CID92603557
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name(2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1nc2cc(-c3ccccc3F)ncn2n1
InChIInChI=1S/C22H19F2N5O2/c1-13(26-22(30)14(2)31-16-7-5-6-15(23)10-16)21-27-20-11-19(25-12-29(20)28-21)17-8-3-4-9-18(17)24/h3-14H,1-2H3,(H,26,30)/t13-,14-/m0/s1
InChIKeyOFUYSILIEYVSTO-KBPBESRZSA-N
XLogP3.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 110211559
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide
CID 92603570
N-[(1S)-1-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 92603498
(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide
CID 94047744
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2R)-4-amino-2-[2-(3-fluorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 107821491
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide?
The IUPAC name of (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide (CID 92603557) is (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide is C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1nc2cc(-c3ccccc3F)ncn2n1.
What is the InChIKey of (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide?
The InChIKey is OFUYSILIEYVSTO-KBPBESRZSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-13(26-22(30)14(2)31-16-7-5-6-15(23)10-16)21-27-20-11-19(25-12-29(20)28-21)17-8-3-4-9-18(17)24/h3-14H,1-2H3,(H,26,30)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide?
(2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide has a molecular weight of 423.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenoxy)-N-[(1S)-1-[7-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]propanamide is sourced from PubChem (CID 92603557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).