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

C22H22FN5O2 — CID 168923494

IUPAC4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESFc1cccc(N2CCc3c(OCc4cccnc4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C22H22FN5O2/c23-17-4-1-5-18(13-17)28-8-6-19-20(28)25-22(27-9-11-29-12-10-27)26-21(19)30-15-16-3-2-7-24-14-16/h1-5,7,13-14H,6,8-12,15H2
InChIKeyDKNUQNDSDAYITK-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.12
Rot. Bonds5

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

4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 168923494) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID168923494
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
SMILESFc1cccc(N2CCc3c(OCc4cccnc4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C22H22FN5O2/c23-17-4-1-5-18(13-17)28-8-6-19-20(28)25-22(27-9-11-29-12-10-27)26-21(19)30-15-16-3-2-7-24-14-16/h1-5,7,13-14H,6,8-12,15H2
InChIKeyDKNUQNDSDAYITK-UHFFFAOYSA-N
XLogP3.12
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.12
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-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine (CID 168923494) is 4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is Fc1cccc(N2CCc3c(OCc4cccnc4)nc(N4CCOCC4)nc32)c1.
What is the InChIKey of 4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is DKNUQNDSDAYITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-17-4-1-5-18(13-17)28-8-6-19-20(28)25-22(27-9-11-29-12-10-27)26-21(19)30-15-16-3-2-7-24-14-16/h1-5,7,13-14H,6,8-12,15H2.
What are the key properties of 4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine?
4-[7-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 407.45 g/mol, XLogP of 3.12, 5 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-ylmethoxy)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 168923494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).