4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid

C24H20FN3O4 — CID 91381525

IUPAC4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2oc3ncnc(N4CCC(O)CC4)c3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O4/c25-17-7-5-14(6-8-17)19-20-22(28-11-9-18(29)10-12-28)26-13-27-23(20)32-21(19)15-1-3-16(4-2-15)24(30)31/h1-8,13,18,29H,9-12H2,(H,30,31)
InChIKeyMETSVWBJABZNMW-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.36
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid

4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid (PubChem CID 91381525) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
PubChem CID91381525
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2oc3ncnc(N4CCC(O)CC4)c3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O4/c25-17-7-5-14(6-8-17)19-20-22(28-11-9-18(29)10-12-28)26-13-27-23(20)32-21(19)15-1-3-16(4-2-15)24(30)31/h1-8,13,18,29H,9-12H2,(H,30,31)
InChIKeyMETSVWBJABZNMW-UHFFFAOYSA-N
XLogP4.36
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-(4-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]furo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 91134713
(2S)-2,5-diamino-N-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]phenyl]pentanamide
CID 90941776
(2S)-2,6-diamino-N-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]phenyl]hexanamide
CID 90714792
tert-butyl N-[(2S)-1-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]anilino]-1-oxopropan-2-yl]carbamate
CID 90907553
[1-[6-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 87955479
(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide
CID 90955087
4-[4-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 91183782
1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 91228180
1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 90759187
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 46359387
6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine
CID 142215854
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid (CID 91381525) is 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid is O=C(O)c1ccc(-c2oc3ncnc(N4CCC(O)CC4)c3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid?
The InChIKey is METSVWBJABZNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c25-17-7-5-14(6-8-17)19-20-22(28-11-9-18(29)10-12-28)26-13-27-23(20)32-21(19)15-1-3-16(4-2-15)24(30)31/h1-8,13,18,29H,9-12H2,(H,30,31).
What are the key properties of 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid?
4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid has a molecular weight of 433.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid is sourced from PubChem (CID 91381525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).