3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline

C35H21N9 — CID 140995717

IUPAC3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5n4)nc(-c4cnccn4)c(-c4ncccn4)c3c2-c2cccnn2)nc1
InChIInChI=1S/C35H21N9/c1-2-8-25-22(7-1)11-14-28(42-25)33-24-13-12-23(26-9-3-4-15-37-26)30(27-10-5-18-41-44-27)31(24)32(35-39-16-6-17-40-35)34(43-33)29-21-36-19-20-38-29/h1-21H
InChIKeyREJXVVJOQDWQQQ-UHFFFAOYSA-N
MW567.62 g/mol
LogP6.88
Rot. Bonds5

About 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline

3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline (PubChem CID 140995717) has the molecular formula C35H21N9 and a molecular weight of 567.62 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline
PubChem CID140995717
Molecular FormulaC35H21N9
Molecular Weight567.62 g/mol
Exact Mass567.19
IUPAC Name3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5n4)nc(-c4cnccn4)c(-c4ncccn4)c3c2-c2cccnn2)nc1
InChIInChI=1S/C35H21N9/c1-2-8-25-22(7-1)11-14-28(42-25)33-24-13-12-23(26-9-3-4-15-37-26)30(27-10-5-18-41-44-27)31(24)32(35-39-16-6-17-40-35)34(43-33)29-21-36-19-20-38-29/h1-21H
InChIKeyREJXVVJOQDWQQQ-UHFFFAOYSA-N
XLogP6.88
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.62
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-(5-pyridazin-3-yl-4-pyrimidin-2-yl-3-pyridinyl)pyrazine
CID 91297006
2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
CID 141179419
2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline
CID 160769683
4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole
CID 175234491
1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
CID 54062793
2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline
CID 141107881
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
3-pyridazin-3-yl-4-pyridin-2-ylpyridazine
CID 68868230
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
2-(2-pyridin-2-ylphenyl)pyrazine
CID 91494990
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline?
The IUPAC name of 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline (CID 140995717) is 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline.
What is the SMILES notation for 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline?
The canonical SMILES for 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline is c1ccc(-c2ccc3c(-c4ccc5ccccc5n4)nc(-c4cnccn4)c(-c4ncccn4)c3c2-c2cccnn2)nc1.
What is the InChIKey of 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline?
The InChIKey is REJXVVJOQDWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N9/c1-2-8-25-22(7-1)11-14-28(42-25)33-24-13-12-23(26-9-3-4-15-37-26)30(27-10-5-18-41-44-27)31(24)32(35-39-16-6-17-40-35)34(43-33)29-21-36-19-20-38-29/h1-21H.
What are the key properties of 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline?
3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline has a molecular weight of 567.62 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline is sourced from PubChem (CID 140995717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).