6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

C26H24FN5O3 — CID 12991410

IUPAC6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC(N1CCOCC1)C2
InChIInChI=1S/C26H24FN5O3/c27-19-8-6-18(7-9-19)23-24(22-10-11-28-26(29-22)35-21-4-2-1-3-5-21)31-16-20(17-32(31)25(23)33)30-12-14-34-15-13-30/h1-11,20H,12-17H2
InChIKeyVCJHBXFRCIQLER-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.42
Rot. Bonds5

About 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (PubChem CID 12991410) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
PubChem CID12991410
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC(N1CCOCC1)C2
InChIInChI=1S/C26H24FN5O3/c27-19-8-6-18(7-9-19)23-24(22-10-11-28-26(29-22)35-21-4-2-1-3-5-21)31-16-20(17-32(31)25(23)33)30-12-14-34-15-13-30/h1-11,20H,12-17H2
InChIKeyVCJHBXFRCIQLER-UHFFFAOYSA-N
XLogP3.42
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one with MolForge

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Related Compounds

p-(18F)MPPF
CID 5352127
2-[(2S)-2-(4-fluoro-2-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798425
[4,4-Bipyrimidin]-6(1h)-one, 2-[(2s)-2-(2-methoxyphenyl)-4-morpholinyl]-1-methyl-
CID 57798492
2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yloxy)phenyl)acetamide
CID 53239985
4-(4-Fluorophenyl)-1,2-dimethyl-5-(2-phenoxypyrimidin-4-yl)-1,2-dihydropyrazol-3-one
CID 10150429
2'-(4-Fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
CID 10225585
2'-(4-Fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
CID 10298242
2-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798480
(S)-2-[2-(4-Methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
CID 57798603
8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one
CID 3232690
6-(4-Fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3232759
6-(3,5-Difluorophenyl)-8-(2-methoxyethyl)-2-phenoxypteridin-7-one
CID 3233115

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (CID 12991410) is 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC(N1CCOCC1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is VCJHBXFRCIQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c27-19-8-6-18(7-9-19)23-24(22-10-11-28-26(29-22)35-21-4-2-1-3-5-21)31-16-20(17-32(31)25(23)33)30-12-14-34-15-13-30/h1-11,20H,12-17H2.
What are the key properties of 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 473.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-morpholin-4-yl-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 12991410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).