4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole

C25H27N5O3 — CID 177223451

IUPAC4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole
SMILESCCCc1ccccc1CN1CCn2ncc(=O)c(O)c2C1=O.Cn1ncc2ccccc21
InChIInChI=1S/C17H19N3O3.C8H8N2/c1-2-5-12-6-3-4-7-13(12)11-19-8-9-20-15(17(19)23)16(22)14(21)10-18-20;1-10-8-5-3-2-4-7(8)6-9-10/h3-4,6-7,10,22H,2,5,8-9,11H2,1H3;2-6H,1H3
InChIKeyIFVFZFHHEUZHKM-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.13
Rot. Bonds4

About 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole

4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole (PubChem CID 177223451) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole.

Molecular Properties

Compound Name4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole
PubChem CID177223451
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole
SMILESCCCc1ccccc1CN1CCn2ncc(=O)c(O)c2C1=O.Cn1ncc2ccccc21
InChIInChI=1S/C17H19N3O3.C8H8N2/c1-2-5-12-6-3-4-7-13(12)11-19-8-9-20-15(17(19)23)16(22)14(21)10-18-20;1-10-8-5-3-2-4-7(8)6-9-10/h3-4,6-7,10,22H,2,5,8-9,11H2,1H3;2-6H,1H3
InChIKeyIFVFZFHHEUZHKM-UHFFFAOYSA-N
XLogP3.13
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole?
The IUPAC name of 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole (CID 177223451) is 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole.
What is the SMILES notation for 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole?
The canonical SMILES for 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole is CCCc1ccccc1CN1CCn2ncc(=O)c(O)c2C1=O.Cn1ncc2ccccc21.
What is the InChIKey of 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole?
The InChIKey is IFVFZFHHEUZHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3.C8H8N2/c1-2-5-12-6-3-4-7-13(12)11-19-8-9-20-15(17(19)23)16(22)14(21)10-18-20;1-10-8-5-3-2-4-7(8)6-9-10/h3-4,6-7,10,22H,2,5,8-9,11H2,1H3;2-6H,1H3.
What are the key properties of 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole?
4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole has a molecular weight of 445.52 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(2-propylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;1-methylindazole is sourced from PubChem (CID 177223451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).