[2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol

C17H17FN4O2 — CID 72706580

IUPAC[2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
InChIInChI=1S/C17H17FN4O2/c18-15-11(9-23)2-1-3-12(15)13-8-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8,10,23H,4-7,9H2,(H,19,20,21)
InChIKeyAKFLJDSVSOFZFA-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.09
Rot. Bonds3

About [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol

[2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol (PubChem CID 72706580) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol
PubChem CID72706580
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name[2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol
SMILESOCc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
InChIInChI=1S/C17H17FN4O2/c18-15-11(9-23)2-1-3-12(15)13-8-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8,10,23H,4-7,9H2,(H,19,20,21)
InChIKeyAKFLJDSVSOFZFA-UHFFFAOYSA-N
XLogP2.09
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol?
The IUPAC name of [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol (CID 72706580) is [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol?
The canonical SMILES for [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol is OCc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F.
What is the InChIKey of [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol?
The InChIKey is AKFLJDSVSOFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-15-11(9-23)2-1-3-12(15)13-8-19-16-14(13)17(21-10-20-16)22-4-6-24-7-5-22/h1-3,8,10,23H,4-7,9H2,(H,19,20,21).
What are the key properties of [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol?
[2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol has a molecular weight of 328.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methanol is sourced from PubChem (CID 72706580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).