3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide

C22H20FN5O2 — CID 60557251

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C22H20FN5O2/c1-14-18(15(2)28-22(26-14)24-13-25-28)10-11-21(29)27-19-8-3-4-9-20(19)30-17-7-5-6-16(23)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,27,29)
InChIKeyNZBWRSZAQMBPQM-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.24
Rot. Bonds6

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide (PubChem CID 60557251) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide
PubChem CID60557251
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C22H20FN5O2/c1-14-18(15(2)28-22(26-14)24-13-25-28)10-11-21(29)27-19-8-3-4-9-20(19)30-17-7-5-6-16(23)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,27,29)
InChIKeyNZBWRSZAQMBPQM-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide
CID 33251166
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9404851
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxyphenyl)propanamide
CID 51284456
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 55886579
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-phenylphenyl)propanamide
CID 9404077
N-(2-aminoethyl)-2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 120603731
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8960230
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 47064558
N-(2-methoxyphenyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 122175613
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
CID 55900334
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55803437
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-2-pyridinyl)propanamide
CID 3241346

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide (CID 60557251) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1Oc1cccc(F)c1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide?
The InChIKey is NZBWRSZAQMBPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14-18(15(2)28-22(26-14)24-13-25-28)10-11-21(29)27-19-8-3-4-9-20(19)30-17-7-5-6-16(23)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,27,29).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide has a molecular weight of 405.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-fluorophenoxy)phenyl]propanamide is sourced from PubChem (CID 60557251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).