7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C17H14FN5O2 — CID 146671456

IUPAC7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1cnn(CCO)c1)cn2-c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2/c18-12-1-3-13(4-2-12)23-9-14(11-7-21-22(8-11)5-6-24)15-16(23)19-10-20-17(15)25/h1-4,7-10,24H,5-6H2,(H,19,20,25)
InChIKeyHXEBQIRAISPEQL-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.71
Rot. Bonds4

About 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 146671456) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID146671456
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1cnn(CCO)c1)cn2-c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2/c18-12-1-3-13(4-2-12)23-9-14(11-7-21-22(8-11)5-6-24)15-16(23)19-10-20-17(15)25/h1-4,7-10,24H,5-6H2,(H,19,20,25)
InChIKeyHXEBQIRAISPEQL-UHFFFAOYSA-N
XLogP1.71
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 146671456) is 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1cnn(CCO)c1)cn2-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is HXEBQIRAISPEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-12-1-3-13(4-2-12)23-9-14(11-7-21-22(8-11)5-6-24)15-16(23)19-10-20-17(15)25/h1-4,7-10,24H,5-6H2,(H,19,20,25).
What are the key properties of 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 339.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-[1-(2-hydroxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 146671456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).