6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

C22H19N5O3 — CID 177223473

IUPAC6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESCn1nc(C2CN(Cc3ccccc3)C(=O)c3c(O)c(=O)cnn32)c2ccccc21
InChIInChI=1S/C22H19N5O3/c1-25-16-10-6-5-9-15(16)19(24-25)17-13-26(12-14-7-3-2-4-8-14)22(30)20-21(29)18(28)11-23-27(17)20/h2-11,17,29H,12-13H2,1H3
InChIKeyCCKWLBAKMXDQLI-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.08
Rot. Bonds3

About 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 177223473) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID177223473
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESCn1nc(C2CN(Cc3ccccc3)C(=O)c3c(O)c(=O)cnn32)c2ccccc21
InChIInChI=1S/C22H19N5O3/c1-25-16-10-6-5-9-15(16)19(24-25)17-13-26(12-14-7-3-2-4-8-14)22(30)20-21(29)18(28)11-23-27(17)20/h2-11,17,29H,12-13H2,1H3
InChIKeyCCKWLBAKMXDQLI-UHFFFAOYSA-N
XLogP2.08
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 177223473) is 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is Cn1nc(C2CN(Cc3ccccc3)C(=O)c3c(O)c(=O)cnn32)c2ccccc21.
What is the InChIKey of 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is CCKWLBAKMXDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-25-16-10-6-5-9-15(16)19(24-25)17-13-26(12-14-7-3-2-4-8-14)22(30)20-21(29)18(28)11-23-27(17)20/h2-11,17,29H,12-13H2,1H3.
What are the key properties of 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 401.43 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-hydroxy-8-(1-methylindazol-3-yl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 177223473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).