1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol

C24H30N6O3 — CID 126485810

IUPAC1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol
SMILESCOc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C24H30N6O3/c1-15-7-17-10-25-30(23-9-22(26-24(27-23)32-2)29-11-19(31)12-29)21(17)8-20(15)16-3-5-28(6-4-16)18-13-33-14-18/h7-10,16,18-19,31H,3-6,11-14H2,1-2H3
InChIKeyGINZNYODRLTNRD-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol

1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol (PubChem CID 126485810) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol
PubChem CID126485810
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol
SMILESCOc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1
InChIInChI=1S/C24H30N6O3/c1-15-7-17-10-25-30(23-9-22(26-24(27-23)32-2)29-11-19(31)12-29)21(17)8-20(15)16-3-5-28(6-4-16)18-13-33-14-18/h7-10,16,18-19,31H,3-6,11-14H2,1-2H3
InChIKeyGINZNYODRLTNRD-UHFFFAOYSA-N
XLogP1.89
TPSA88.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550248
US10954240, Example 47
CID 118930313
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol
CID 90335118
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(2-methylindazol-6-yl)-2-pyridinyl]amino]propan-2-ol
CID 90335179
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]amino]propan-2-ol
CID 90335244
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(2-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol
CID 90335340
2-[(E)-1-[3-[(1S)-1-(1,6-dimethylindazol-5-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 90654052
US10975081, Example E38
CID 140318413
US10975081, Example E62
CID 140318429
US10975081, Example E40
CID 140318466
US10975081, Example E170
CID 141517620
US10975081, Example E22
CID 141517772

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol (CID 126485810) is 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol is COc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(C4CCN(C5COC5)CC4)cc32)n1.
What is the InChIKey of 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is GINZNYODRLTNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-15-7-17-10-25-30(23-9-22(26-24(27-23)32-2)29-11-19(31)12-29)21(17)8-20(15)16-3-5-28(6-4-16)18-13-33-14-18/h7-10,16,18-19,31H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol?
1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 450.54 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 126485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).