5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole

C22H26N6OS — CID 166605680

IUPAC5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(OCC3CCN(c4ccnc(C5CC5)n4)CC3)nn2)s1
InChIInChI=1S/C22H26N6OS/c1-14-21(30-15(2)24-14)18-5-6-20(27-26-18)29-13-16-8-11-28(12-9-16)19-7-10-23-22(25-19)17-3-4-17/h5-7,10,16-17H,3-4,8-9,11-13H2,1-2H3
InChIKeyHBCQPGDQNKEFOI-UHFFFAOYSA-N
MW422.56 g/mol
LogP4.18
Rot. Bonds6

About 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole

5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 166605680) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
PubChem CID166605680
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(OCC3CCN(c4ccnc(C5CC5)n4)CC3)nn2)s1
InChIInChI=1S/C22H26N6OS/c1-14-21(30-15(2)24-14)18-5-6-20(27-26-18)29-13-16-8-11-28(12-9-16)19-7-10-23-22(25-19)17-3-4-17/h5-7,10,16-17H,3-4,8-9,11-13H2,1-2H3
InChIKeyHBCQPGDQNKEFOI-UHFFFAOYSA-N
XLogP4.18
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole 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 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole (CID 166605680) is 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2ccc(OCC3CCN(c4ccnc(C5CC5)n4)CC3)nn2)s1.
What is the InChIKey of 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is HBCQPGDQNKEFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-14-21(30-15(2)24-14)18-5-6-20(27-26-18)29-13-16-8-11-28(12-9-16)19-7-10-23-22(25-19)17-3-4-17/h5-7,10,16-17H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole?
5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 422.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 166605680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).