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

C18H16FN5O2 — CID 146670180

IUPAC7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCOCCn1cc(-c2cn(-c3cccc(F)c3)c3nc[nH]c(=O)c23)cn1
InChIInChI=1S/C18H16FN5O2/c1-26-6-5-23-9-12(8-22-23)15-10-24(14-4-2-3-13(19)7-14)17-16(15)18(25)21-11-20-17/h2-4,7-11H,5-6H2,1H3,(H,20,21,25)
InChIKeyORLVRFKMEGNSKG-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.36
Rot. Bonds5

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

7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 146670180) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID146670180
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCOCCn1cc(-c2cn(-c3cccc(F)c3)c3nc[nH]c(=O)c23)cn1
InChIInChI=1S/C18H16FN5O2/c1-26-6-5-23-9-12(8-22-23)15-10-24(14-4-2-3-13(19)7-14)17-16(15)18(25)21-11-20-17/h2-4,7-11H,5-6H2,1H3,(H,20,21,25)
InChIKeyORLVRFKMEGNSKG-UHFFFAOYSA-N
XLogP2.36
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 146670180) is 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is COCCn1cc(-c2cn(-c3cccc(F)c3)c3nc[nH]c(=O)c23)cn1.
What is the InChIKey of 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ORLVRFKMEGNSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-26-6-5-23-9-12(8-22-23)15-10-24(14-4-2-3-13(19)7-14)17-16(15)18(25)21-11-20-17/h2-4,7-11H,5-6H2,1H3,(H,20,21,25).
What are the key properties of 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 353.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 146670180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).