4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C17H13N5 — CID 44623244

IUPAC4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)n1
InChIInChI=1S/C17H13N5/c18-17-19-7-6-15(22-17)14-10-21-16-13(14)8-12(9-20-16)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H2,18,19,22)
InChIKeyKPJMUYKZCGYCGA-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.27
Rot. Bonds2

About 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 44623244) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID44623244
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)n1
InChIInChI=1S/C17H13N5/c18-17-19-7-6-15(22-17)14-10-21-16-13(14)8-12(9-20-16)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H2,18,19,22)
InChIKeyKPJMUYKZCGYCGA-UHFFFAOYSA-N
XLogP3.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 44623244) is 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)n1.
What is the InChIKey of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is KPJMUYKZCGYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-17-19-7-6-15(22-17)14-10-21-16-13(14)8-12(9-20-16)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H2,18,19,22).
What are the key properties of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 44623244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).