8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one

C28H26N8O — CID 71224533

IUPAC8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
SMILESCN1Cc2cc(Nc3ncc4c(=O)n(-c5cccnc5)nc(-c5ccccn5)c4n3)ccc2C(C)(C)C1
InChIInChI=1S/C28H26N8O/c1-28(2)17-35(3)16-18-13-19(9-10-22(18)28)32-27-31-15-21-24(33-27)25(23-8-4-5-12-30-23)34-36(26(21)37)20-7-6-11-29-14-20/h4-15H,16-17H2,1-3H3,(H,31,32,33)
InChIKeyKVSLHAUDMBXYCV-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.10
Rot. Bonds4

About 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one

8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one (PubChem CID 71224533) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
PubChem CID71224533
Molecular FormulaC28H26N8O
Molecular Weight490.57 g/mol
Exact Mass490.22
IUPAC Name8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
SMILESCN1Cc2cc(Nc3ncc4c(=O)n(-c5cccnc5)nc(-c5ccccn5)c4n3)ccc2C(C)(C)C1
InChIInChI=1S/C28H26N8O/c1-28(2)17-35(3)16-18-13-19(9-10-22(18)28)32-27-31-15-21-24(33-27)25(23-8-4-5-12-30-23)34-36(26(21)37)20-7-6-11-29-14-20/h4-15H,16-17H2,1-3H3,(H,31,32,33)
InChIKeyKVSLHAUDMBXYCV-UHFFFAOYSA-N
XLogP4.10
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one (CID 71224533) is 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one is CN1Cc2cc(Nc3ncc4c(=O)n(-c5cccnc5)nc(-c5ccccn5)c4n3)ccc2C(C)(C)C1.
What is the InChIKey of 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one?
The InChIKey is KVSLHAUDMBXYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-28(2)17-35(3)16-18-13-19(9-10-22(18)28)32-27-31-15-21-24(33-27)25(23-8-4-5-12-30-23)34-36(26(21)37)20-7-6-11-29-14-20/h4-15H,16-17H2,1-3H3,(H,31,32,33).
What are the key properties of 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one?
8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one has a molecular weight of 490.57 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-2-yl-6-pyridin-3-yl-2-[(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 71224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).