4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine

C23H21ClFN5O — CID 66576177

IUPAC4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2nn(CCN3CCOCC3)c3nnc(-c4ccccc4)c(Cl)c23)cc1
InChIInChI=1S/C23H21ClFN5O/c24-20-19-21(17-6-8-18(25)9-7-17)28-30(11-10-29-12-14-31-15-13-29)23(19)27-26-22(20)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyJVVOJBVTKQZIGA-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.28
Rot. Bonds5

About 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine

4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine (PubChem CID 66576177) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine
PubChem CID66576177
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2nn(CCN3CCOCC3)c3nnc(-c4ccccc4)c(Cl)c23)cc1
InChIInChI=1S/C23H21ClFN5O/c24-20-19-21(17-6-8-18(25)9-7-17)28-30(11-10-29-12-14-31-15-13-29)23(19)27-26-22(20)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyJVVOJBVTKQZIGA-UHFFFAOYSA-N
XLogP4.28
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine (CID 66576177) is 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine is Fc1ccc(-c2nn(CCN3CCOCC3)c3nnc(-c4ccccc4)c(Cl)c23)cc1.
What is the InChIKey of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine?
The InChIKey is JVVOJBVTKQZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c24-20-19-21(17-6-8-18(25)9-7-17)28-30(11-10-29-12-14-31-15-13-29)23(19)27-26-22(20)16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine?
4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine has a molecular weight of 437.91 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 66576177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).