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

C22H28N6O — CID 152972619

IUPAC1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol
SMILESCc1nc(N2CC(C)C2)cc(-n2ncc3cc(C)c(N4CCC(O)CC4)cc32)n1
InChIInChI=1S/C22H28N6O/c1-14-12-27(13-14)21-10-22(25-16(3)24-21)28-20-9-19(15(2)8-17(20)11-23-28)26-6-4-18(29)5-7-26/h8-11,14,18,29H,4-7,12-13H2,1-3H3
InChIKeyUSTVXQJJZCYOIG-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.85
Rot. Bonds3

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

1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol (PubChem CID 152972619) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol
PubChem CID152972619
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol
SMILESCc1nc(N2CC(C)C2)cc(-n2ncc3cc(C)c(N4CCC(O)CC4)cc32)n1
InChIInChI=1S/C22H28N6O/c1-14-12-27(13-14)21-10-22(25-16(3)24-21)28-20-9-19(15(2)8-17(20)11-23-28)26-6-4-18(29)5-7-26/h8-11,14,18,29H,4-7,12-13H2,1-3H3
InChIKeyUSTVXQJJZCYOIG-UHFFFAOYSA-N
XLogP2.85
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-4-ol
CID 126485876
(3R)-1-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]pyrrolidin-3-ol
CID 126485747
1-[5-chloro-1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]indazol-6-yl]piperidin-4-one
CID 126485705
6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
CID 163525707
tert-butyl 4-[1-[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate
CID 135279355
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
1-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276355
4-[5-methyl-1-[2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]indazol-6-yl]piperidine-1-carboxylic acid
CID 155347059
(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126486003
(2S)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126485814
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276399
4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 146441155

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol?
The IUPAC name of 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol (CID 152972619) is 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol is Cc1nc(N2CC(C)C2)cc(-n2ncc3cc(C)c(N4CCC(O)CC4)cc32)n1.
What is the InChIKey of 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol?
The InChIKey is USTVXQJJZCYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-14-12-27(13-14)21-10-22(25-16(3)24-21)28-20-9-19(15(2)8-17(20)11-23-28)26-6-4-18(29)5-7-26/h8-11,14,18,29H,4-7,12-13H2,1-3H3.
What are the key properties of 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol?
1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol has a molecular weight of 392.51 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol is sourced from PubChem (CID 152972619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).