[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol

C25H30N4O3 — CID 145002479

IUPAC[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol
SMILESCCCCc1cccc(-c2cc(OCC)c3cnn(-c4cccc(CO)n4)c3c2)n1.CO
InChIInChI=1S/C24H26N4O2.CH4O/c1-3-5-8-18-9-6-11-21(26-18)17-13-22-20(23(14-17)30-4-2)15-25-28(22)24-12-7-10-19(16-29)27-24;1-2/h6-7,9-15,29H,3-5,8,16H2,1-2H3;2H,1H3
InChIKeyYMERTOBQIHKBOV-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.32
Rot. Bonds8

About [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol

[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol (PubChem CID 145002479) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol.

Molecular Properties

Compound Name[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol
PubChem CID145002479
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol
SMILESCCCCc1cccc(-c2cc(OCC)c3cnn(-c4cccc(CO)n4)c3c2)n1.CO
InChIInChI=1S/C24H26N4O2.CH4O/c1-3-5-8-18-9-6-11-21(26-18)17-13-22-20(23(14-17)30-4-2)15-25-28(22)24-12-7-10-19(16-29)27-24;1-2/h6-7,9-15,29H,3-5,8,16H2,1-2H3;2H,1H3
InChIKeyYMERTOBQIHKBOV-UHFFFAOYSA-N
XLogP4.32
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 155123690
(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118664562
[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 166646236
[6-[6-(6-butyl-2-pyridinyl)-4-[(3-chloro-2,2-dimethylpropyl)amino]indazol-1-yl]-2-pyridinyl]methanol
CID 118670647
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol
CID 118663805
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol
CID 118663987
[6-[6-[4-[(1S)-1-aminobutyl]pyrimidin-2-yl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 118663716
4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118664265
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol
CID 155123759
[6-[6-[6-(1-aminobutyl)-2-pyridinyl]-4-(hydroxymethyl)indazol-1-yl]-2-pyridinyl]methanol
CID 118663570
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[iodo(methyl)amino]indazol-1-yl]-2-pyridinyl]methanol
CID 145002472
(R)-N-[(1S)-1-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methylsulfonylethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
CID 118664105

Frequently Asked Questions

What is the IUPAC name of [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol?
The IUPAC name of [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol (CID 145002479) is [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol.
What is the SMILES notation for [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol?
The canonical SMILES for [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol is CCCCc1cccc(-c2cc(OCC)c3cnn(-c4cccc(CO)n4)c3c2)n1.CO.
What is the InChIKey of [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol?
The InChIKey is YMERTOBQIHKBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.CH4O/c1-3-5-8-18-9-6-11-21(26-18)17-13-22-20(23(14-17)30-4-2)15-25-28(22)24-12-7-10-19(16-29)27-24;1-2/h6-7,9-15,29H,3-5,8,16H2,1-2H3;2H,1H3.
What are the key properties of [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol?
[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol has a molecular weight of 434.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol is sourced from PubChem (CID 145002479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).