4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine

C20H19FN6 — CID 122619901

IUPAC4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2ccn3c(Cc4ccccc4F)nnc3c2)n1
InChIInChI=1S/C20H19FN6/c1-13(2)23-20-22-9-7-17(24-20)15-8-10-27-18(25-26-19(27)12-15)11-14-5-3-4-6-16(14)21/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
InChIKeyQQPJPGZABSQSJD-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.74
Rot. Bonds5

About 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine

4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 122619901) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID122619901
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2ccn3c(Cc4ccccc4F)nnc3c2)n1
InChIInChI=1S/C20H19FN6/c1-13(2)23-20-22-9-7-17(24-20)15-8-10-27-18(25-26-19(27)12-15)11-14-5-3-4-6-16(14)21/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
InChIKeyQQPJPGZABSQSJD-UHFFFAOYSA-N
XLogP3.74
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine (CID 122619901) is 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2ccn3c(Cc4ccccc4F)nnc3c2)n1.
What is the InChIKey of 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is QQPJPGZABSQSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-13(2)23-20-22-9-7-17(24-20)15-8-10-27-18(25-26-19(27)12-15)11-14-5-3-4-6-16(14)21/h3-10,12-13H,11H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 362.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 122619901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).