1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one

C26H24FN5O3 — CID 91180647

IUPAC1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one
SMILESO=C1CCN(c2ncnc3oc(-c4ccc(N5CCOCC5)nc4)c(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C26H24FN5O3/c27-19-4-1-17(2-5-19)22-23-25(32-9-7-20(33)8-10-32)29-16-30-26(23)35-24(22)18-3-6-21(28-15-18)31-11-13-34-14-12-31/h1-6,15-16H,7-14H2
InChIKeyAWOILEMTRPATQA-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.10
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one

1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one (PubChem CID 91180647) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one
PubChem CID91180647
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one
SMILESO=C1CCN(c2ncnc3oc(-c4ccc(N5CCOCC5)nc4)c(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C26H24FN5O3/c27-19-4-1-17(2-5-19)22-23-25(32-9-7-20(33)8-10-32)29-16-30-26(23)35-24(22)18-3-6-21(28-15-18)31-11-13-34-14-12-31/h1-6,15-16H,7-14H2
InChIKeyAWOILEMTRPATQA-UHFFFAOYSA-N
XLogP4.10
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one (CID 91180647) is 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one is O=C1CCN(c2ncnc3oc(-c4ccc(N5CCOCC5)nc4)c(-c4ccc(F)cc4)c23)CC1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one?
The InChIKey is AWOILEMTRPATQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c27-19-4-1-17(2-5-19)22-23-25(32-9-7-20(33)8-10-32)29-16-30-26(23)35-24(22)18-3-6-21(28-15-18)31-11-13-34-14-12-31/h1-6,15-16H,7-14H2.
What are the key properties of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one?
1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one has a molecular weight of 473.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one is sourced from PubChem (CID 91180647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).