N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide

C22H20FN5O — CID 50749239

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FN5O/c1-14-5-4-6-19(11-14)27(21(29)17-7-9-18(23)10-8-17)13-20-25-22-24-15(2)12-16(3)28(22)26-20/h4-12H,13H2,1-3H3
InChIKeyDUJRPEWBAPPYFZ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.04
Rot. Bonds4

About N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide (PubChem CID 50749239) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide
PubChem CID50749239
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FN5O/c1-14-5-4-6-19(11-14)27(21(29)17-7-9-18(23)10-8-17)13-20-25-22-24-15(2)12-16(3)28(22)26-20/h4-12H,13H2,1-3H3
InChIKeyDUJRPEWBAPPYFZ-UHFFFAOYSA-N
XLogP4.04
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide (CID 50749239) is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide is Cc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide?
The InChIKey is DUJRPEWBAPPYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-5-4-6-19(11-14)27(21(29)17-7-9-18(23)10-8-17)13-20-25-22-24-15(2)12-16(3)28(22)26-20/h4-12H,13H2,1-3H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluoro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 50749239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).