2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one

C20H22N6O3 — CID 171630560

IUPAC2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one
SMILESCCn1nc(C(=O)N2CCN(c3cnccc3OC)CC2)c2cnccc2c1=O
InChIInChI=1S/C20H22N6O3/c1-3-26-19(27)14-4-6-21-12-15(14)18(23-26)20(28)25-10-8-24(9-11-25)16-13-22-7-5-17(16)29-2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyJZXWFYUSNBZHFO-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.18
Rot. Bonds4

About 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one

2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one (PubChem CID 171630560) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one
PubChem CID171630560
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one
SMILESCCn1nc(C(=O)N2CCN(c3cnccc3OC)CC2)c2cnccc2c1=O
InChIInChI=1S/C20H22N6O3/c1-3-26-19(27)14-4-6-21-12-15(14)18(23-26)20(28)25-10-8-24(9-11-25)16-13-22-7-5-17(16)29-2/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyJZXWFYUSNBZHFO-UHFFFAOYSA-N
XLogP1.18
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
4-[4-(4,5-difluoro-2-methoxyphenyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630933
ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171631020
2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride
CID 171630588
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
2-ethyl-4-[4-(5-isocyano-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 172510491
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
2-ethyl-6-fluoro-4-[4-(5-methyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171630545
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-[4-[(1E,3E)-1,4-diamino-3-methoxybuta-1,3-dienyl]piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630530
6-chloro-2-methyl-4-[4-(4-propyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one;ethane
CID 171630546
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3443205

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one (CID 171630560) is 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one is CCn1nc(C(=O)N2CCN(c3cnccc3OC)CC2)c2cnccc2c1=O.
What is the InChIKey of 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one?
The InChIKey is JZXWFYUSNBZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-3-26-19(27)14-4-6-21-12-15(14)18(23-26)20(28)25-10-8-24(9-11-25)16-13-22-7-5-17(16)29-2/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one?
2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one has a molecular weight of 394.44 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 171630560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).