2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

C23H19N5 — CID 3945404

IUPAC2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1cncc(-c2cc(N3CCc4ccccc4C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C23H19N5/c1-2-6-20-16-28(12-9-17(20)5-1)22-13-21(18-7-3-10-24-14-18)26-23(27-22)19-8-4-11-25-15-19/h1-8,10-11,13-15H,9,12,16H2
InChIKeyWEAGHJBBGAUHCK-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.16
Rot. Bonds3

About 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 3945404) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID3945404
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1cncc(-c2cc(N3CCc4ccccc4C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C23H19N5/c1-2-6-20-16-28(12-9-17(20)5-1)22-13-21(18-7-3-10-24-14-18)26-23(27-22)19-8-4-11-25-15-19/h1-8,10-11,13-15H,9,12,16H2
InChIKeyWEAGHJBBGAUHCK-UHFFFAOYSA-N
XLogP4.16
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 3945404) is 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is c1cncc(-c2cc(N3CCc4ccccc4C3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is WEAGHJBBGAUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-2-6-20-16-28(12-9-17(20)5-1)22-13-21(18-7-3-10-24-14-18)26-23(27-22)19-8-4-11-25-15-19/h1-8,10-11,13-15H,9,12,16H2.
What are the key properties of 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 365.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3945404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).