[6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol

C25H27FN4O3 — CID 145002506

IUPAC[6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC(F)Cc1cccc(-c2cc(OCCOC)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C25H27FN4O3/c1-3-18(26)14-19-6-4-8-22(28-19)17-12-23-21(24(13-17)33-11-10-32-2)15-27-30(23)25-9-5-7-20(16-31)29-25/h4-9,12-13,15,18,31H,3,10-11,14,16H2,1-2H3
InChIKeyIZGGXHQLADIPJG-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.29
Rot. Bonds10

About [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 145002506) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID145002506
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name[6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC(F)Cc1cccc(-c2cc(OCCOC)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C25H27FN4O3/c1-3-18(26)14-19-6-4-8-22(28-19)17-12-23-21(24(13-17)33-11-10-32-2)15-27-30(23)25-9-5-7-20(16-31)29-25/h4-9,12-13,15,18,31H,3,10-11,14,16H2,1-2H3
InChIKeyIZGGXHQLADIPJG-UHFFFAOYSA-N
XLogP4.29
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol (CID 145002506) is [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol is CCC(F)Cc1cccc(-c2cc(OCCOC)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is IZGGXHQLADIPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-3-18(26)14-19-6-4-8-22(28-19)17-12-23-21(24(13-17)33-11-10-32-2)15-27-30(23)25-9-5-7-20(16-31)29-25/h4-9,12-13,15,18,31H,3,10-11,14,16H2,1-2H3.
What are the key properties of [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 450.51 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-(2-fluorobutyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 145002506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).