4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine

C27H23FN6O2 — CID 56592037

IUPAC4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine
SMILESFc1ccccc1-c1cc(-c2nnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C27H23FN6O2/c28-23-6-2-1-4-20(23)24-16-21(19-5-3-8-30-26(19)31-24)25-18-7-9-29-17-22(18)27(33-32-25)36-15-12-34-10-13-35-14-11-34/h1-9,16-17H,10-15H2
InChIKeyDGQKJRLOYKXGEY-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.15
Rot. Bonds6

About 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine

4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine (PubChem CID 56592037) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine
PubChem CID56592037
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine
SMILESFc1ccccc1-c1cc(-c2nnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C27H23FN6O2/c28-23-6-2-1-4-20(23)24-16-21(19-5-3-8-30-26(19)31-24)25-18-7-9-29-17-22(18)27(33-32-25)36-15-12-34-10-13-35-14-11-34/h1-9,16-17H,10-15H2
InChIKeyDGQKJRLOYKXGEY-UHFFFAOYSA-N
XLogP4.15
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11428175
6-Pyridin-3-yl-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11269112
4-(6-(4-(2-(Piperidin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44577770
[1-[5-(2-Methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
CID 54671054
2-((1S,2S)-2-((5-(3-fluoropyridin-2-yl)-2-methylpyrimidin-4-yloxy)methyl)cyclopropyl) quinoline
CID 90182227
US9138494, Example 9
CID 118375233
3-(4-Fluoro-phenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11164596
4-[9-(Pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine
CID 11361354
6-Pyridin-4-yl-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11429055
6-(6-methoxy-5-methyl-3-pyridinyl)-4-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 155527103
7-Methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine
CID 25065971

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine (CID 56592037) is 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine is Fc1ccccc1-c1cc(-c2nnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.
What is the InChIKey of 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine?
The InChIKey is DGQKJRLOYKXGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c28-23-6-2-1-4-20(23)24-16-21(19-5-3-8-30-26(19)31-24)25-18-7-9-29-17-22(18)27(33-32-25)36-15-12-34-10-13-35-14-11-34/h1-9,16-17H,10-15H2.
What are the key properties of 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine?
4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine has a molecular weight of 482.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyridazin-4-yl]oxyethyl]morpholine is sourced from PubChem (CID 56592037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).