6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole

C22H26FN5O — CID 163525707

IUPAC6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
SMILESCc1nc(N2CC(C)C2)cc(-n2ncc3cc(C)c(C4CCOCC4F)cc32)n1
InChIInChI=1S/C22H26FN5O/c1-13-10-27(11-13)21-8-22(26-15(3)25-21)28-20-7-18(14(2)6-16(20)9-24-28)17-4-5-29-12-19(17)23/h6-9,13,17,19H,4-5,10-12H2,1-3H3
InChIKeyDOONFDQDCUFPGD-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.73
Rot. Bonds3

About 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole

6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole (PubChem CID 163525707) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole.

Molecular Properties

Compound Name6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
PubChem CID163525707
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
SMILESCc1nc(N2CC(C)C2)cc(-n2ncc3cc(C)c(C4CCOCC4F)cc32)n1
InChIInChI=1S/C22H26FN5O/c1-13-10-27(11-13)21-8-22(26-15(3)25-21)28-20-7-18(14(2)6-16(20)9-24-28)17-4-5-29-12-19(17)23/h6-9,13,17,19H,4-5,10-12H2,1-3H3
InChIKeyDOONFDQDCUFPGD-UHFFFAOYSA-N
XLogP3.73
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485740
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-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 126485766
[(2S)-4-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol;sulfane
CID 162189720
5-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 152990529
1-[5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-4-ol
CID 152972619
5-[6-[6-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;methane;sulfane
CID 161142080
4-[1-[6-[1-(hydroxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-methylpyrimidin-4-yl]-5-methylindazol-6-yl]oxan-3-ol
CID 135274048
(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine
CID 126485757
[(2S)-4-[2-methyl-6-[5-methyl-6-(oxan-3-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485704
5-[6-[6-(3-fluoropiperidin-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;sulfane;hydrochloride
CID 158084025
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 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole?
The IUPAC name of 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole (CID 163525707) is 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole.
What is the SMILES notation for 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole?
The canonical SMILES for 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole is Cc1nc(N2CC(C)C2)cc(-n2ncc3cc(C)c(C4CCOCC4F)cc32)n1.
What is the InChIKey of 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole?
The InChIKey is DOONFDQDCUFPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-13-10-27(11-13)21-8-22(26-15(3)25-21)28-20-7-18(14(2)6-16(20)9-24-28)17-4-5-29-12-19(17)23/h6-9,13,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole?
6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole has a molecular weight of 395.48 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole is sourced from PubChem (CID 163525707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).