8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C24H19F2N7 — CID 146490641

IUPAC8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(C)n1
InChIInChI=1S/C24H19F2N7/c1-13-10-16(11-14(2)29-13)21-22(15-5-7-17(25)8-6-15)31-24(27)33-23(21)30-20(32-33)12-19-18(26)4-3-9-28-19/h3-11H,12H2,1-2H3,(H2,27,31)
InChIKeyYXMOEFODDQFQNL-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.32
Rot. Bonds4

About 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490641) has the molecular formula C24H19F2N7 and a molecular weight of 443.46 g/mol. Its IUPAC name is 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490641
Molecular FormulaC24H19F2N7
Molecular Weight443.46 g/mol
Exact Mass443.17
IUPAC Name8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(C)n1
InChIInChI=1S/C24H19F2N7/c1-13-10-16(11-14(2)29-13)21-22(15-5-7-17(25)8-6-15)31-24(27)33-23(21)30-20(32-33)12-19-18(26)4-3-9-28-19/h3-11H,12H2,1-2H3,(H2,27,31)
InChIKeyYXMOEFODDQFQNL-UHFFFAOYSA-N
XLogP4.32
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-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 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490641) is 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(C)n1.
What is the InChIKey of 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is YXMOEFODDQFQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7/c1-13-10-16(11-14(2)29-13)21-22(15-5-7-17(25)8-6-15)31-24(27)33-23(21)30-20(32-33)12-19-18(26)4-3-9-28-19/h3-11H,12H2,1-2H3,(H2,27,31).
What are the key properties of 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 443.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).