7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine

C17H12FN5 — CID 11001230

IUPAC7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cc(-c1ccncc1)n2-c1ccc(F)cc1
InChIInChI=1S/C17H12FN5/c18-12-1-3-13(4-2-12)23-15(11-5-7-20-8-6-11)9-14-16(19)21-10-22-17(14)23/h1-10H,(H2,19,21,22)
InChIKeyPSPQCVJYCILGSK-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.20
Rot. Bonds2

About 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 11001230) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID11001230
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cc(-c1ccncc1)n2-c1ccc(F)cc1
InChIInChI=1S/C17H12FN5/c18-12-1-3-13(4-2-12)23-15(11-5-7-20-8-6-11)9-14-16(19)21-10-22-17(14)23/h1-10H,(H2,19,21,22)
InChIKeyPSPQCVJYCILGSK-UHFFFAOYSA-N
XLogP3.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 11001230) is 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1cc(-c1ccncc1)n2-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PSPQCVJYCILGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c18-12-1-3-13(4-2-12)23-15(11-5-7-20-8-6-11)9-14-16(19)21-10-22-17(14)23/h1-10H,(H2,19,21,22).
What are the key properties of 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 305.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11001230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).