2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C21H21N7OS — CID 155980870

IUPAC2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(C)c(-c2ccc(N3CCN(c4cc(=O)n5ccccc5n4)CC3)nn2)s1
InChIInChI=1S/C21H21N7OS/c1-14-21(30-15(2)22-14)16-6-7-18(25-24-16)26-9-11-27(12-10-26)19-13-20(29)28-8-4-3-5-17(28)23-19/h3-8,13H,9-12H2,1-2H3
InChIKeyFQUONVTYEIFUSX-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.55
Rot. Bonds3

About 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 155980870) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID155980870
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(C)c(-c2ccc(N3CCN(c4cc(=O)n5ccccc5n4)CC3)nn2)s1
InChIInChI=1S/C21H21N7OS/c1-14-21(30-15(2)22-14)16-6-7-18(25-24-16)26-9-11-27(12-10-26)19-13-20(29)28-8-4-3-5-17(28)23-19/h3-8,13H,9-12H2,1-2H3
InChIKeyFQUONVTYEIFUSX-UHFFFAOYSA-N
XLogP2.55
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 155980870) is 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1nc(C)c(-c2ccc(N3CCN(c4cc(=O)n5ccccc5n4)CC3)nn2)s1.
What is the InChIKey of 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FQUONVTYEIFUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-14-21(30-15(2)22-14)16-6-7-18(25-24-16)26-9-11-27(12-10-26)19-13-20(29)28-8-4-3-5-17(28)23-19/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 419.51 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155980870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).