4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine

C22H20FN5O2 — CID 134326390

IUPAC4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C22H20FN5O2/c1-29-18-4-2-3-16(23)19(18)22-24-13-17-21(25-22)20(27-26-17)14-5-7-15(8-6-14)28-9-11-30-12-10-28/h2-8,13H,9-12H2,1H3,(H,26,27)
InChIKeyHFZYDRUMFHIHIP-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.67
Rot. Bonds4

About 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine

4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine (PubChem CID 134326390) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine
PubChem CID134326390
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C22H20FN5O2/c1-29-18-4-2-3-16(23)19(18)22-24-13-17-21(25-22)20(27-26-17)14-5-7-15(8-6-14)28-9-11-30-12-10-28/h2-8,13H,9-12H2,1H3,(H,26,27)
InChIKeyHFZYDRUMFHIHIP-UHFFFAOYSA-N
XLogP3.67
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine (CID 134326390) is 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2n1.
What is the InChIKey of 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine?
The InChIKey is HFZYDRUMFHIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-29-18-4-2-3-16(23)19(18)22-24-13-17-21(25-22)20(27-26-17)14-5-7-15(8-6-14)28-9-11-30-12-10-28/h2-8,13H,9-12H2,1H3,(H,26,27).
What are the key properties of 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine?
4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine has a molecular weight of 405.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]morpholine is sourced from PubChem (CID 134326390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).