[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol

C25H29N5O3 — CID 166646236

IUPAC[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2cccc(C(N)C(CC)OC)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C25H29N5O3/c1-4-22(32-3)25(26)20-10-7-9-19(29-20)16-12-21-18(23(13-16)33-5-2)14-27-30(21)24-11-6-8-17(15-31)28-24/h6-14,22,25,31H,4-5,15,26H2,1-3H3
InChIKeyOJOYYPSJKDRXHN-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.80
Rot. Bonds9

About [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol (PubChem CID 166646236) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
PubChem CID166646236
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2cccc(C(N)C(CC)OC)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C25H29N5O3/c1-4-22(32-3)25(26)20-10-7-9-19(29-20)16-12-21-18(23(13-16)33-5-2)14-27-30(21)24-11-6-8-17(15-31)28-24/h6-14,22,25,31H,4-5,15,26H2,1-3H3
InChIKeyOJOYYPSJKDRXHN-UHFFFAOYSA-N
XLogP3.80
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol (CID 166646236) is [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol is CCOc1cc(-c2cccc(C(N)C(CC)OC)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is OJOYYPSJKDRXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-4-22(32-3)25(26)20-10-7-9-19(29-20)16-12-21-18(23(13-16)33-5-2)14-27-30(21)24-11-6-8-17(15-31)28-24/h6-14,22,25,31H,4-5,15,26H2,1-3H3.
What are the key properties of [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 447.54 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 166646236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).