2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone

C24H23FN4O3 — CID 59244734

IUPAC2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H23FN4O3/c25-18-6-4-16(5-7-18)14-21(31)29-9-8-20-22(17-2-1-3-19(30)15-17)26-24(27-23(20)29)28-10-12-32-13-11-28/h1-7,15,30H,8-14H2
InChIKeyMCKHZQZIVKIVEL-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone

2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone (PubChem CID 59244734) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
PubChem CID59244734
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H23FN4O3/c25-18-6-4-16(5-7-18)14-21(31)29-9-8-20-22(17-2-1-3-19(30)15-17)26-24(27-23(20)29)28-10-12-32-13-11-28/h1-7,15,30H,8-14H2
InChIKeyMCKHZQZIVKIVEL-UHFFFAOYSA-N
XLogP2.96
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone (CID 59244734) is 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
The InChIKey is MCKHZQZIVKIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-18-6-4-16(5-7-18)14-21(31)29-9-8-20-22(17-2-1-3-19(30)15-17)26-24(27-23(20)29)28-10-12-32-13-11-28/h1-7,15,30H,8-14H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone has a molecular weight of 434.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 59244734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).