2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole

C22H17N5 — CID 155556236

IUPAC2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole
SMILESc1cncc(-c2cc(N3Cc4ccccc4C3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C22H17N5/c1-2-5-19-15-27(14-18(19)4-1)21-12-20(17-6-3-9-24-13-17)25-22(26-21)16-7-10-23-11-8-16/h1-13H,14-15H2
InChIKeyGCLXYYMGZFENJV-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.12
Rot. Bonds3

About 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole

2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole (PubChem CID 155556236) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole
PubChem CID155556236
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole
SMILESc1cncc(-c2cc(N3Cc4ccccc4C3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C22H17N5/c1-2-5-19-15-27(14-18(19)4-1)21-12-20(17-6-3-9-24-13-17)25-22(26-21)16-7-10-23-11-8-16/h1-13H,14-15H2
InChIKeyGCLXYYMGZFENJV-UHFFFAOYSA-N
XLogP4.12
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole (CID 155556236) is 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole is c1cncc(-c2cc(N3Cc4ccccc4C3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole?
The InChIKey is GCLXYYMGZFENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-5-19-15-27(14-18(19)4-1)21-12-20(17-6-3-9-24-13-17)25-22(26-21)16-7-10-23-11-8-16/h1-13H,14-15H2.
What are the key properties of 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole?
2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole has a molecular weight of 351.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 155556236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).