2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol

C23H34ClN3O6 — CID 73332094

IUPAC2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
SMILESCC(C)(C)N1N=CC(OCc2ccc(OCCOCCOC3CCCCO3)nc2)=C(Cl)C1O
InChIInChI=1S/C23H34ClN3O6/c1-23(2,3)27-22(28)21(24)18(15-26-27)33-16-17-7-8-19(25-14-17)30-12-10-29-11-13-32-20-6-4-5-9-31-20/h7-8,14-15,20,22,28H,4-6,9-13,16H2,1-3H3
InChIKeyCNFYDXBAPYAWAX-UHFFFAOYSA-N
MW483.99 g/mol
LogP3.41
Rot. Bonds11

About 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol

2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol (PubChem CID 73332094) has the molecular formula C23H34ClN3O6 and a molecular weight of 483.99 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
PubChem CID73332094
Molecular FormulaC23H34ClN3O6
Molecular Weight483.99 g/mol
Exact Mass483.21
IUPAC Name2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
SMILESCC(C)(C)N1N=CC(OCc2ccc(OCCOCCOC3CCCCO3)nc2)=C(Cl)C1O
InChIInChI=1S/C23H34ClN3O6/c1-23(2,3)27-22(28)21(24)18(15-26-27)33-16-17-7-8-19(25-14-17)30-12-10-29-11-13-32-20-6-4-5-9-31-20/h7-8,14-15,20,22,28H,4-6,9-13,16H2,1-3H3
InChIKeyCNFYDXBAPYAWAX-UHFFFAOYSA-N
XLogP3.41
TPSA94.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.99
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
CID 73332098
5-(3-methylbut-2-enoxymethyl)-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 144830019
2-tert-butyl-4-chloro-5-hydroxypyridazin-3-one;2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one;[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methanol
CID 159996503
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol
CID 174187887
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
The IUPAC name of 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol (CID 73332094) is 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol is CC(C)(C)N1N=CC(OCc2ccc(OCCOCCOC3CCCCO3)nc2)=C(Cl)C1O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
The InChIKey is CNFYDXBAPYAWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O6/c1-23(2,3)27-22(28)21(24)18(15-26-27)33-16-17-7-8-19(25-14-17)30-12-10-29-11-13-32-20-6-4-5-9-31-20/h7-8,14-15,20,22,28H,4-6,9-13,16H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol has a molecular weight of 483.99 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol is sourced from PubChem (CID 73332094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).