6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H17BrFN7 — CID 155792460

IUPAC6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(N2Cc3ccc(F)cc3C2)n1
InChIInChI=1S/C20H17BrFN7/c1-11-16(18(23)29-20(26-11)24-10-25-29)7-15-4-5-17(21)19(27-15)28-8-12-2-3-14(22)6-13(12)9-28/h2-6,10H,7-9,23H2,1H3
InChIKeyBPSJCTISNCRTSH-UHFFFAOYSA-N
MW454.31 g/mol
LogP3.42
Rot. Bonds3

About 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155792460) has the molecular formula C20H17BrFN7 and a molecular weight of 454.31 g/mol. Its IUPAC name is 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID155792460
Molecular FormulaC20H17BrFN7
Molecular Weight454.31 g/mol
Exact Mass453.07
IUPAC Name6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(N2Cc3ccc(F)cc3C2)n1
InChIInChI=1S/C20H17BrFN7/c1-11-16(18(23)29-20(26-11)24-10-25-29)7-15-4-5-17(21)19(27-15)28-8-12-2-3-14(22)6-13(12)9-28/h2-6,10H,7-9,23H2,1H3
InChIKeyBPSJCTISNCRTSH-UHFFFAOYSA-N
XLogP3.42
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 155792460) is 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(N2Cc3ccc(F)cc3C2)n1.
What is the InChIKey of 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BPSJCTISNCRTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN7/c1-11-16(18(23)29-20(26-11)24-10-25-29)7-15-4-5-17(21)19(27-15)28-8-12-2-3-14(22)6-13(12)9-28/h2-6,10H,7-9,23H2,1H3.
What are the key properties of 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 454.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-bromo-6-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155792460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).