5,8-diphenoxypyrido[2,3-d]pyridazine

C19H13N3O2 — CID 628849

IUPAC5,8-diphenoxypyrido[2,3-d]pyridazine
SMILESc1ccc(Oc2nnc(Oc3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C19H13N3O2/c1-3-8-14(9-4-1)23-18-16-12-7-13-20-17(16)19(22-21-18)24-15-10-5-2-6-11-15/h1-13H
InChIKeySDRSIEWDRDCRAM-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.61
Rot. Bonds4

About 5,8-diphenoxypyrido[2,3-d]pyridazine

5,8-diphenoxypyrido[2,3-d]pyridazine (PubChem CID 628849) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5,8-diphenoxypyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name5,8-diphenoxypyrido[2,3-d]pyridazine
PubChem CID628849
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5,8-diphenoxypyrido[2,3-d]pyridazine
SMILESc1ccc(Oc2nnc(Oc3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C19H13N3O2/c1-3-8-14(9-4-1)23-18-16-12-7-13-20-17(16)19(22-21-18)24-15-10-5-2-6-11-15/h1-13H
InChIKeySDRSIEWDRDCRAM-UHFFFAOYSA-N
XLogP4.61
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
4-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11604203
4-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668362
2-(2,4-Difluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
CID 45136861
2-(4-Fluorophenoxy)-5-(2-methylphenyl)pyrido[2,3-d]pyridazine
CID 46205831
US9138494, Example 2
CID 118375226
2-(5-Methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine
CID 45488870
US9138494, Example 1
CID 118375222
9-Oxa-1,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaene
CID 46904962
4-(111C)methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 78319287
US10034861, Example 159
CID 132273451
US9540352, example 9
CID 134814171

Frequently Asked Questions

What is the IUPAC name of 5,8-diphenoxypyrido[2,3-d]pyridazine?
The IUPAC name of 5,8-diphenoxypyrido[2,3-d]pyridazine (CID 628849) is 5,8-diphenoxypyrido[2,3-d]pyridazine.
What is the SMILES notation for 5,8-diphenoxypyrido[2,3-d]pyridazine?
The canonical SMILES for 5,8-diphenoxypyrido[2,3-d]pyridazine is c1ccc(Oc2nnc(Oc3ccccc3)c3ncccc23)cc1.
What is the InChIKey of 5,8-diphenoxypyrido[2,3-d]pyridazine?
The InChIKey is SDRSIEWDRDCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c1-3-8-14(9-4-1)23-18-16-12-7-13-20-17(16)19(22-21-18)24-15-10-5-2-6-11-15/h1-13H.
What are the key properties of 5,8-diphenoxypyrido[2,3-d]pyridazine?
5,8-diphenoxypyrido[2,3-d]pyridazine has a molecular weight of 315.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diphenoxypyrido[2,3-d]pyridazine is sourced from PubChem (CID 628849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).