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

C25H20F3N7 — CID 146490662

IUPAC2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCN(C)c1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)ccn1
InChIInChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)
InChIKeyPFAXMIALVXBXEB-UHFFFAOYSA-N
MW475.48 g/mol
LogP4.51
Rot. Bonds5

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

2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490662) has the molecular formula C25H20F3N7 and a molecular weight of 475.48 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490662
Molecular FormulaC25H20F3N7
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC Name2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCN(C)c1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)ccn1
InChIInChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)
InChIKeyPFAXMIALVXBXEB-UHFFFAOYSA-N
XLogP4.51
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490662) is 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CN(C)c1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)ccn1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is PFAXMIALVXBXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32).
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 475.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-8-[2-(dimethylamino)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).