2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H14FN5 — CID 161474659

IUPAC2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2nc(Nc3ccc4c(c3)C=NC4)c3cc[nH]c3n2)cc1
InChIInChI=1S/C20H14FN5/c21-15-4-1-12(2-5-15)18-25-19-17(7-8-23-19)20(26-18)24-16-6-3-13-10-22-11-14(13)9-16/h1-9,11H,10H2,(H2,23,24,25,26)
InChIKeyWDOAAWYZAOERQO-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.44
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 161474659) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID161474659
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-c2nc(Nc3ccc4c(c3)C=NC4)c3cc[nH]c3n2)cc1
InChIInChI=1S/C20H14FN5/c21-15-4-1-12(2-5-15)18-25-19-17(7-8-23-19)20(26-18)24-16-6-3-13-10-22-11-14(13)9-16/h1-9,11H,10H2,(H2,23,24,25,26)
InChIKeyWDOAAWYZAOERQO-UHFFFAOYSA-N
XLogP4.44
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 161474659) is 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc(-c2nc(Nc3ccc4c(c3)C=NC4)c3cc[nH]c3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WDOAAWYZAOERQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c21-15-4-1-12(2-5-15)18-25-19-17(7-8-23-19)20(26-18)24-16-6-3-13-10-22-11-14(13)9-16/h1-9,11H,10H2,(H2,23,24,25,26).
What are the key properties of 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 343.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161474659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).