5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

C22H16N6 — CID 25119893

IUPAC5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccnc21
InChIInChI=1S/C22H16N6/c23-21-20-19(5-2-8-27-20)22(28-21,17-6-9-24-10-7-17)18-4-1-3-15(11-18)16-12-25-14-26-13-16/h1-14H,(H2,23,28)
InChIKeyIKPDKTBNLLAJBD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.94
Rot. Bonds3

About 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine

5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 25119893) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
PubChem CID25119893
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC Name5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccnc21
InChIInChI=1S/C22H16N6/c23-21-20-19(5-2-8-27-20)22(28-21,17-6-9-24-10-7-17)18-4-1-3-15(11-18)16-12-25-14-26-13-16/h1-14H,(H2,23,28)
InChIKeyIKPDKTBNLLAJBD-UHFFFAOYSA-N
XLogP2.94
TPSA89.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine (CID 25119893) is 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is NC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccnc21.
What is the InChIKey of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is IKPDKTBNLLAJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6/c23-21-20-19(5-2-8-27-20)22(28-21,17-6-9-24-10-7-17)18-4-1-3-15(11-18)16-12-25-14-26-13-16/h1-14H,(H2,23,28).
What are the key properties of 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine?
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 364.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 25119893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).