1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole

C24H32N6OS — CID 135279384

IUPAC1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole
SMILESCOc1nc(N2CCC2)cc(-n2ncc3cc(C)c(C4CCN(CCSC)CC4)cc32)n1
InChIInChI=1S/C24H32N6OS/c1-17-13-19-16-25-30(23-15-22(29-7-4-8-29)26-24(27-23)31-2)21(19)14-20(17)18-5-9-28(10-6-18)11-12-32-3/h13-16,18H,4-12H2,1-3H3
InChIKeyXPYFLBMTRYVRLZ-UHFFFAOYSA-N
MW452.63 g/mol
LogP3.89
Rot. Bonds7

About 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole

1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole (PubChem CID 135279384) has the molecular formula C24H32N6OS and a molecular weight of 452.63 g/mol. Its IUPAC name is 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole.

Molecular Properties

Compound Name1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole
PubChem CID135279384
Molecular FormulaC24H32N6OS
Molecular Weight452.63 g/mol
Exact Mass452.24
IUPAC Name1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole
SMILESCOc1nc(N2CCC2)cc(-n2ncc3cc(C)c(C4CCN(CCSC)CC4)cc32)n1
InChIInChI=1S/C24H32N6OS/c1-17-13-19-16-25-30(23-15-22(29-7-4-8-29)26-24(27-23)31-2)21(19)14-20(17)18-5-9-28(10-6-18)11-12-32-3/h13-16,18H,4-12H2,1-3H3
InChIKeyXPYFLBMTRYVRLZ-UHFFFAOYSA-N
XLogP3.89
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.63
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole 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 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole?
The IUPAC name of 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole (CID 135279384) is 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole.
What is the SMILES notation for 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole?
The canonical SMILES for 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole is COc1nc(N2CCC2)cc(-n2ncc3cc(C)c(C4CCN(CCSC)CC4)cc32)n1.
What is the InChIKey of 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole?
The InChIKey is XPYFLBMTRYVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6OS/c1-17-13-19-16-25-30(23-15-22(29-7-4-8-29)26-24(27-23)31-2)21(19)14-20(17)18-5-9-28(10-6-18)11-12-32-3/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole?
1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole has a molecular weight of 452.63 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfanylethyl)piperidin-4-yl]indazole is sourced from PubChem (CID 135279384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).