(8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one

C23H21F2N3O3 — CID 156512377

IUPAC(8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
SMILESCN1C[C@@H](C2c3cc(F)ccc3CCc3ccc(F)cc32)N2N=CC(O)C(O)=C2C1=O
InChIInChI=1S/C23H21F2N3O3/c1-27-11-18(28-21(23(27)31)22(30)19(29)10-26-28)20-16-8-14(24)6-4-12(16)2-3-13-5-7-15(25)9-17(13)20/h4-10,18-20,29-30H,2-3,11H2,1H3/t18-,19?/m0/s1
InChIKeyUGAWBEQOXASKEJ-OYKVQYDMSA-N
MW425.44 g/mol
LogP2.47
Rot. Bonds1

About (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one

(8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one (PubChem CID 156512377) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one.

Molecular Properties

Compound Name(8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
PubChem CID156512377
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name(8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one
SMILESCN1C[C@@H](C2c3cc(F)ccc3CCc3ccc(F)cc32)N2N=CC(O)C(O)=C2C1=O
InChIInChI=1S/C23H21F2N3O3/c1-27-11-18(28-21(23(27)31)22(30)19(29)10-26-28)20-16-8-14(24)6-4-12(16)2-3-13-5-7-15(25)9-17(13)20/h4-10,18-20,29-30H,2-3,11H2,1H3/t18-,19?/m0/s1
InChIKeyUGAWBEQOXASKEJ-OYKVQYDMSA-N
XLogP2.47
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The IUPAC name of (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one (CID 156512377) is (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one.
What is the SMILES notation for (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The canonical SMILES for (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one is CN1C[C@@H](C2c3cc(F)ccc3CCc3ccc(F)cc32)N2N=CC(O)C(O)=C2C1=O.
What is the InChIKey of (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
The InChIKey is UGAWBEQOXASKEJ-OYKVQYDMSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-27-11-18(28-21(23(27)31)22(30)19(29)10-26-28)20-16-8-14(24)6-4-12(16)2-3-13-5-7-15(25)9-17(13)20/h4-10,18-20,29-30H,2-3,11H2,1H3/t18-,19?/m0/s1.
What are the key properties of (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one?
(8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one has a molecular weight of 425.44 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(5,14-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-3,4-dihydroxy-6-methyl-7,8-dihydro-3H-pyrazino[1,2-b]pyridazin-5-one is sourced from PubChem (CID 156512377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).