1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane

C23H23FN4O — CID 162100397

IUPAC1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane
SMILESC.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)cc2)c1
InChIInChI=1S/C22H19FN4O.CH4/c1-14-4-9-20(23)17(11-14)13-18(28)12-15-5-7-16(8-6-15)19-3-2-10-27-21(19)22(24)25-26-27;/h2-11H,12-13,24H2,1H3;1H4
InChIKeyZEUOKCSVAGPGDO-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.42
Rot. Bonds5

About 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane

1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane (PubChem CID 162100397) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane.

Molecular Properties

Compound Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane
PubChem CID162100397
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane
SMILESC.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)cc2)c1
InChIInChI=1S/C22H19FN4O.CH4/c1-14-4-9-20(23)17(11-14)13-18(28)12-15-5-7-16(8-6-15)19-3-2-10-27-21(19)22(24)25-26-27;/h2-11H,12-13,24H2,1H3;1H4
InChIKeyZEUOKCSVAGPGDO-UHFFFAOYSA-N
XLogP4.42
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-2-oxopropyl]benzonitrile
CID 159031820
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-chloro-4-methylphenyl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-fluoro-3-methylphenyl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methylphenyl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-propan-2-ylphenyl)propan-2-one
CID 161420716
1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(2-methoxyphenyl)propan-2-one;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)propan-2-one;1-[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]-3-(3-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 161499413
1-[5-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[5-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-pyridinyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyrimidin-5-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[3-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 159582107
1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267133
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 158914768
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
methyl 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenyl]thieno[3,2-b]pyridine-2-carboxylate
CID 58172939
1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 157295282
1-[3-(3-amino-1H-indazol-4-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[6-(3-amino-1H-indazol-4-yl)-1,2,4-triazin-3-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 158348487
1-(2-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 149183535
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane?
The IUPAC name of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane (CID 162100397) is 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane.
What is the SMILES notation for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane?
The canonical SMILES for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane is C.Cc1ccc(F)c(CC(=O)Cc2ccc(-c3cccn4nnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane?
The InChIKey is ZEUOKCSVAGPGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O.CH4/c1-14-4-9-20(23)17(11-14)13-18(28)12-15-5-7-16(8-6-15)19-3-2-10-27-21(19)22(24)25-26-27;/h2-11H,12-13,24H2,1H3;1H4.
What are the key properties of 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane?
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane has a molecular weight of 390.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;methane is sourced from PubChem (CID 162100397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).