[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone

C24H25FN6O4 — CID 155067285

IUPAC[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cn(-c4ccc(C(=O)N5CCOC[C@H]5C)cc4)nn3)c2cc1F
InChIInChI=1S/C24H25FN6O4/c1-15-14-34-8-7-30(15)24(32)16-3-5-17(6-4-16)31-13-21(27-29-31)23-18-11-19(25)22(35-10-9-33-2)12-20(18)26-28-23/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyXDSPZDLTLZFXTC-OAHLLOKOSA-N
MW480.50 g/mol
LogP2.84
Rot. Bonds7

About [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone

[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 155067285) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID155067285
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC Name[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCOCCOc1cc2[nH]nc(-c3cn(-c4ccc(C(=O)N5CCOC[C@H]5C)cc4)nn3)c2cc1F
InChIInChI=1S/C24H25FN6O4/c1-15-14-34-8-7-30(15)24(32)16-3-5-17(6-4-16)31-13-21(27-29-31)23-18-11-19(25)22(35-10-9-33-2)12-20(18)26-28-23/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyXDSPZDLTLZFXTC-OAHLLOKOSA-N
XLogP2.84
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone (CID 155067285) is [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone is COCCOc1cc2[nH]nc(-c3cn(-c4ccc(C(=O)N5CCOC[C@H]5C)cc4)nn3)c2cc1F.
What is the InChIKey of [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is XDSPZDLTLZFXTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-15-14-34-8-7-30(15)24(32)16-3-5-17(6-4-16)31-13-21(27-29-31)23-18-11-19(25)22(35-10-9-33-2)12-20(18)26-28-23/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,28)/t15-/m1/s1.
What are the key properties of [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 480.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 155067285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).