4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine

C26H25F2N5O2 — CID 151420535

IUPAC4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine
SMILESFc1ccc(Oc2nccc(C3=C(c4ccc(F)cc4)CN4CC(N5CCOCC5)CN34)n2)cc1
InChIInChI=1S/C26H25F2N5O2/c27-19-3-1-18(2-4-19)23-17-32-15-21(31-11-13-34-14-12-31)16-33(32)25(23)24-9-10-29-26(30-24)35-22-7-5-20(28)6-8-22/h1-10,21H,11-17H2
InChIKeyPALDBGZZXSBMTJ-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.66
Rot. Bonds5

About 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine

4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine (PubChem CID 151420535) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine
PubChem CID151420535
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine
SMILESFc1ccc(Oc2nccc(C3=C(c4ccc(F)cc4)CN4CC(N5CCOCC5)CN34)n2)cc1
InChIInChI=1S/C26H25F2N5O2/c27-19-3-1-18(2-4-19)23-17-32-15-21(31-11-13-34-14-12-31)16-33(32)25(23)24-9-10-29-26(30-24)35-22-7-5-20(28)6-8-22/h1-10,21H,11-17H2
InChIKeyPALDBGZZXSBMTJ-UHFFFAOYSA-N
XLogP3.66
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine?
The IUPAC name of 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine (CID 151420535) is 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine is Fc1ccc(Oc2nccc(C3=C(c4ccc(F)cc4)CN4CC(N5CCOCC5)CN34)n2)cc1.
What is the InChIKey of 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine?
The InChIKey is PALDBGZZXSBMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c27-19-3-1-18(2-4-19)23-17-32-15-21(31-11-13-34-14-12-31)16-33(32)25(23)24-9-10-29-26(30-24)35-22-7-5-20(28)6-8-22/h1-10,21H,11-17H2.
What are the key properties of 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine?
4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine has a molecular weight of 477.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine is sourced from PubChem (CID 151420535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).