1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol

C21H26N6O2 — CID 126485876

IUPAC1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol
SMILESCc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(N4CCC(O)CC4)cc32)n1
InChIInChI=1S/C21H26N6O2/c1-13-7-15-10-22-27(19(15)8-18(13)25-5-3-16(28)4-6-25)21-9-20(23-14(2)24-21)26-11-17(29)12-26/h7-10,16-17,28-29H,3-6,11-12H2,1-2H3
InChIKeyWZEBTEDOIROPTA-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.57
Rot. Bonds3

About 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol

1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol (PubChem CID 126485876) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol
PubChem CID126485876
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol
SMILESCc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(N4CCC(O)CC4)cc32)n1
InChIInChI=1S/C21H26N6O2/c1-13-7-15-10-22-27(19(15)8-18(13)25-5-3-16(28)4-6-25)21-9-20(23-14(2)24-21)26-11-17(29)12-26/h7-10,16-17,28-29H,3-6,11-12H2,1-2H3
InChIKeyWZEBTEDOIROPTA-UHFFFAOYSA-N
XLogP1.57
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol (CID 126485876) is 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol is Cc1nc(N2CC(O)C2)cc(-n2ncc3cc(C)c(N4CCC(O)CC4)cc32)n1.
What is the InChIKey of 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol?
The InChIKey is WZEBTEDOIROPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13-7-15-10-22-27(19(15)8-18(13)25-5-3-16(28)4-6-25)21-9-20(23-14(2)24-21)26-11-17(29)12-26/h7-10,16-17,28-29H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol?
1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol has a molecular weight of 394.48 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol is sourced from PubChem (CID 126485876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).