5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one

C20H24FN7O3 — CID 169422962

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1N1NC2C(CC1=O)NNC2c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H24FN7O3/c1-30-15-4-2-3-13(21)19(15)28-16(29)9-14-18(26-28)17(25-24-14)12-10-22-20(23-11-12)27-5-7-31-8-6-27/h2-4,10-11,14,17-18,24-26H,5-9H2,1H3
InChIKeyMLTXBOFIZGGNCP-UHFFFAOYSA-N
MW429.46 g/mol
LogP0.29
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 169422962) has the molecular formula C20H24FN7O3 and a molecular weight of 429.46 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID169422962
Molecular FormulaC20H24FN7O3
Molecular Weight429.46 g/mol
Exact Mass429.19
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1N1NC2C(CC1=O)NNC2c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H24FN7O3/c1-30-15-4-2-3-13(21)19(15)28-16(29)9-14-18(26-28)17(25-24-14)12-10-22-20(23-11-12)27-5-7-31-8-6-27/h2-4,10-11,14,17-18,24-26H,5-9H2,1H3
InChIKeyMLTXBOFIZGGNCP-UHFFFAOYSA-N
XLogP0.29
TPSA103.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 169422962) is 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1cccc(F)c1N1NC2C(CC1=O)NNC2c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is MLTXBOFIZGGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O3/c1-30-15-4-2-3-13(21)19(15)28-16(29)9-14-18(26-28)17(25-24-14)12-10-22-20(23-11-12)27-5-7-31-8-6-27/h2-4,10-11,14,17-18,24-26H,5-9H2,1H3.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 429.46 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 169422962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).