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

C23H28FN5O3 — CID 126486104

IUPAC[4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCOC(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
InChIKeyBTLFMEFFHMWXDS-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.47
Rot. Bonds4

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

[4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 126486104) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID126486104
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name[4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCc1nc(N2CCOC(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
InChIKeyBTLFMEFFHMWXDS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol (CID 126486104) is [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 [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol is Cc1nc(N2CCOC(CO)C2)cc(-n2ncc3cc(C)c(C4CCOCC4F)cc32)n1.
What is the InChIKey of [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is BTLFMEFFHMWXDS-UHFFFAOYSA-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.
What are the key properties of [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol?
[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 [4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 126486104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).