3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one

C33H45N5O10 — CID 129251426

IUPAC3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2cc3c(=O)n(C)c4cccnc4c3nn2)nc1
InChIInChI=1S/C33H45N5O10/c1-38-30-4-3-7-34-32(30)31-27(33(38)39)24-29(36-37-31)28-6-5-26(25-35-28)48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-40-2/h3-7,24-25H,8-23H2,1-2H3
InChIKeyQXIYDQUWUUYCFN-UHFFFAOYSA-N
MW671.75 g/mol
LogP2.08
Rot. Bonds26

About 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one

3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one (PubChem CID 129251426) has the molecular formula C33H45N5O10 and a molecular weight of 671.75 g/mol. Its IUPAC name is 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one.

Molecular Properties

Compound Name3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one
PubChem CID129251426
Molecular FormulaC33H45N5O10
Molecular Weight671.75 g/mol
Exact Mass671.32
IUPAC Name3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2cc3c(=O)n(C)c4cccnc4c3nn2)nc1
InChIInChI=1S/C33H45N5O10/c1-38-30-4-3-7-34-32(30)31-27(33(38)39)24-29(36-37-31)28-6-5-26(25-35-28)48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-40-2/h3-7,24-25H,8-23H2,1-2H3
InChIKeyQXIYDQUWUUYCFN-UHFFFAOYSA-N
XLogP2.08
TPSA156.63 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.75
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one?
The IUPAC name of 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one (CID 129251426) is 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one.
What is the SMILES notation for 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one?
The canonical SMILES for 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one is COCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(-c2cc3c(=O)n(C)c4cccnc4c3nn2)nc1.
What is the InChIKey of 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one?
The InChIKey is QXIYDQUWUUYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O10/c1-38-30-4-3-7-34-32(30)31-27(33(38)39)24-29(36-37-31)28-6-5-26(25-35-28)48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-40-2/h3-7,24-25H,8-23H2,1-2H3.
What are the key properties of 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one?
3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one has a molecular weight of 671.75 g/mol, XLogP of 2.08, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-pyridinyl]-6-methylpyridazino[4,3-c][1,5]naphthyridin-5-one is sourced from PubChem (CID 129251426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).