3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

C23H17N5 — CID 24875236

IUPAC3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21
InChIInChI=1S/C23H17N5/c24-22-20-6-1-2-7-21(20)23(28-22,18-8-10-25-11-9-18)19-5-3-4-16(12-19)17-13-26-15-27-14-17/h1-15H,(H2,24,28)
InChIKeyAQKMASIJQXIOKJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.55
Rot. Bonds3

About 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine (PubChem CID 24875236) has the molecular formula C23H17N5 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
PubChem CID24875236
Molecular FormulaC23H17N5
Molecular Weight363.42 g/mol
Exact Mass363.15
IUPAC Name3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
SMILESNC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21
InChIInChI=1S/C23H17N5/c24-22-20-6-1-2-7-21(20)23(28-22,18-8-10-25-11-9-18)19-5-3-4-16(12-19)17-13-26-15-27-14-17/h1-15H,(H2,24,28)
InChIKeyAQKMASIJQXIOKJ-UHFFFAOYSA-N
XLogP3.55
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
The IUPAC name of 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine (CID 24875236) is 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine.
What is the SMILES notation for 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
The canonical SMILES for 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine is NC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21.
What is the InChIKey of 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
The InChIKey is AQKMASIJQXIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5/c24-22-20-6-1-2-7-21(20)23(28-22,18-8-10-25-11-9-18)19-5-3-4-16(12-19)17-13-26-15-27-14-17/h1-15H,(H2,24,28).
What are the key properties of 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine?
3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine has a molecular weight of 363.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine is sourced from PubChem (CID 24875236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).