[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol

C23H28FN5O3 — CID 126485740

IUPAC[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCOCC4F)cc32)n1
InChIInChI=1S/C23H28FN5O3/c1-14-7-16-10-25-29(21(16)8-19(14)18-3-5-31-13-20(18)24)23-9-22(26-15(2)27-23)28-4-6-32-17(11-28)12-30/h7-10,17-18,20,30H,3-6,11-13H2,1-2H3/t17-,18?,20?/m0/s1
InChIKeyBTLFMEFFHMWXDS-ZJRDLVKKSA-N
MW441.51 g/mol
LogP2.47
Rot. Bonds4

About [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol

[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 126485740) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID126485740
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCO[C@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCOCC4F)cc32)n1
InChIInChI=1S/C23H28FN5O3/c1-14-7-16-10-25-29(21(16)8-19(14)18-3-5-31-13-20(18)24)23-9-22(26-15(2)27-23)28-4-6-32-17(11-28)12-30/h7-10,17-18,20,30H,3-6,11-13H2,1-2H3/t17-,18?,20?/m0/s1
InChIKeyBTLFMEFFHMWXDS-ZJRDLVKKSA-N
XLogP2.47
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(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
[(2S)-4-[2-methyl-6-[5-methyl-6-(oxan-3-yl)indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485704
6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
CID 163525707
[4-[2-methyl-6-[5-methyl-6-[1-(3-methyloxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 153301781
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
[(2S)-4-[2-methyl-6-[5-methyl-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 135262560
tert-butyl (3S,4R)-3-fluoro-4-[1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methoxypyrimidin-4-yl]-5-methylindazol-6-yl]piperidine-1-carboxylate
CID 142743296
[(2R)-4-[2-methoxy-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485821
4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 126485766
1-[4-[5-chloro-1-[6-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]piperidin-1-yl]propan-2-one
CID 135262594
(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
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

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol (CID 126485740) is [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol is Cc1nc(N2CCO[C@H](CO)C2)cc(-n2ncc3cc(C)c(C4CCOCC4F)cc32)n1.
What is the InChIKey of [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is BTLFMEFFHMWXDS-ZJRDLVKKSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-14-7-16-10-25-29(21(16)8-19(14)18-3-5-31-13-20(18)24)23-9-22(26-15(2)27-23)28-4-6-32-17(11-28)12-30/h7-10,17-18,20,30H,3-6,11-13H2,1-2H3/t17-,18?,20?/m0/s1.
What are the key properties of [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 441.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 126485740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).