7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C28H26F2N6O2 — CID 150486463

IUPAC7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(-c3cc(F)ccc3F)c(C)c3nc(Cc4ncccc4C)nn23)c(OC)c1
InChIInChI=1S/C28H26F2N6O2/c1-16-6-5-11-31-23(16)14-25-33-27-17(2)26(21-12-19(29)8-10-22(21)30)34-28(36(27)35-25)32-15-18-7-9-20(37-3)13-24(18)38-4/h5-13H,14-15H2,1-4H3,(H,32,34)
InChIKeyHUWYAQGHDGYJMJ-UHFFFAOYSA-N
MW516.55 g/mol
LogP5.30
Rot. Bonds8

About 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 150486463) has the molecular formula C28H26F2N6O2 and a molecular weight of 516.55 g/mol. Its IUPAC name is 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID150486463
Molecular FormulaC28H26F2N6O2
Molecular Weight516.55 g/mol
Exact Mass516.21
IUPAC Name7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(-c3cc(F)ccc3F)c(C)c3nc(Cc4ncccc4C)nn23)c(OC)c1
InChIInChI=1S/C28H26F2N6O2/c1-16-6-5-11-31-23(16)14-25-33-27-17(2)26(21-12-19(29)8-10-22(21)30)34-28(36(27)35-25)32-15-18-7-9-20(37-3)13-24(18)38-4/h5-13H,14-15H2,1-4H3,(H,32,34)
InChIKeyHUWYAQGHDGYJMJ-UHFFFAOYSA-N
XLogP5.30
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine 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 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 150486463) is 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CNc2nc(-c3cc(F)ccc3F)c(C)c3nc(Cc4ncccc4C)nn23)c(OC)c1.
What is the InChIKey of 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is HUWYAQGHDGYJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O2/c1-16-6-5-11-31-23(16)14-25-33-27-17(2)26(21-12-19(29)8-10-22(21)30)34-28(36(27)35-25)32-15-18-7-9-20(37-3)13-24(18)38-4/h5-13H,14-15H2,1-4H3,(H,32,34).
What are the key properties of 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 516.55 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 150486463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).