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

C25H23FN8 — CID 146490860

IUPAC2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4cccc(N(C)C)n4)nc23)ccn1
InChIInChI=1S/C25H23FN8/c1-15-13-17(11-12-28-15)22-23(16-7-9-18(26)10-8-16)31-25(27)34-24(22)30-20(32-34)14-19-5-4-6-21(29-19)33(2)3/h4-13H,14H2,1-3H3,(H2,27,31)
InChIKeyAHNHARKFXMTSOO-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.93
Rot. Bonds5

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

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490860) has the molecular formula C25H23FN8 and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490860
Molecular FormulaC25H23FN8
Molecular Weight454.51 g/mol
Exact Mass454.20
IUPAC Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4cccc(N(C)C)n4)nc23)ccn1
InChIInChI=1S/C25H23FN8/c1-15-13-17(11-12-28-15)22-23(16-7-9-18(26)10-8-16)31-25(27)34-24(22)30-20(32-34)14-19-5-4-6-21(29-19)33(2)3/h4-13H,14H2,1-3H3,(H2,27,31)
InChIKeyAHNHARKFXMTSOO-UHFFFAOYSA-N
XLogP3.93
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490860) is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4cccc(N(C)C)n4)nc23)ccn1.
What is the InChIKey of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is AHNHARKFXMTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8/c1-15-13-17(11-12-28-15)22-23(16-7-9-18(26)10-8-16)31-25(27)34-24(22)30-20(32-34)14-19-5-4-6-21(29-19)33(2)3/h4-13H,14H2,1-3H3,(H2,27,31).
What are the key properties of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 454.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).