4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

C21H20FN5O2 — CID 168923637

IUPAC4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESFc1cccc(N2CCc3c(Oc4cccnc4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C21H20FN5O2/c22-15-3-1-4-16(13-15)27-8-6-18-19(27)24-21(26-9-11-28-12-10-26)25-20(18)29-17-5-2-7-23-14-17/h1-5,7,13-14H,6,8-12H2
InChIKeySLHPRCFFTAXMSD-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.33
Rot. Bonds4

About 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine

4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 168923637) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID168923637
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESFc1cccc(N2CCc3c(Oc4cccnc4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C21H20FN5O2/c22-15-3-1-4-16(13-15)27-8-6-18-19(27)24-21(26-9-11-28-12-10-26)25-20(18)29-17-5-2-7-23-14-17/h1-5,7,13-14H,6,8-12H2
InChIKeySLHPRCFFTAXMSD-UHFFFAOYSA-N
XLogP3.33
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 168923637) is 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is Fc1cccc(N2CCc3c(Oc4cccnc4)nc(N4CCOCC4)nc32)c1.
What is the InChIKey of 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is SLHPRCFFTAXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-15-3-1-4-16(13-15)27-8-6-18-19(27)24-21(26-9-11-28-12-10-26)25-20(18)29-17-5-2-7-23-14-17/h1-5,7,13-14H,6,8-12H2.
What are the key properties of 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 393.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-fluorophenyl)-4-pyridin-3-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 168923637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).