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

C23H19N5 — CID 4682397

IUPAC2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(-c2nc(-c3ccncc3)cc(N3CCc4ccccc4C3)n2)nc1
InChIInChI=1S/C23H19N5/c1-2-6-19-16-28(14-10-17(19)5-1)22-15-21(18-8-12-24-13-9-18)26-23(27-22)20-7-3-4-11-25-20/h1-9,11-13,15H,10,14,16H2
InChIKeyPHUBZUQPQRUYHH-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.16
Rot. Bonds3

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

2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 4682397) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID4682397
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(-c2nc(-c3ccncc3)cc(N3CCc4ccccc4C3)n2)nc1
InChIInChI=1S/C23H19N5/c1-2-6-19-16-28(14-10-17(19)5-1)22-15-21(18-8-12-24-13-9-18)26-23(27-22)20-7-3-4-11-25-20/h1-9,11-13,15H,10,14,16H2
InChIKeyPHUBZUQPQRUYHH-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

Analyze 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112881416
2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112936358
4-(4-fluorophenyl)-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3526497
N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine
CID 112934434
4-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]but-2-yn-1-ol
CID 168745052
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
2-[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112880942
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
4-(4-benzhydrylpiperazin-1-yl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidine
CID 3525048
1-(6-phenyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-one
CID 56767355
N-butyl-2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine;carbon dioxide
CID 160847697
2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
CID 122427629

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 4682397) is 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is c1ccc(-c2nc(-c3ccncc3)cc(N3CCc4ccccc4C3)n2)nc1.
What is the InChIKey of 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is PHUBZUQPQRUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-2-6-19-16-28(14-10-17(19)5-1)22-15-21(18-8-12-24-13-9-18)26-23(27-22)20-7-3-4-11-25-20/h1-9,11-13,15H,10,14,16H2.
What are the key properties of 2-(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
2-(2-pyridin-2-yl-6-pyridin-4-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-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4682397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).