3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine

C17H14N4 — CID 137390242

IUPAC3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1/C=c1/c2ccccc2c2cncn12
InChIInChI=1S/C17H14N4/c1-18-17-12(5-4-8-20-17)9-15-13-6-2-3-7-14(13)16-10-19-11-21(15)16/h2-11H,1H3,(H,18,20)/b15-9-
InChIKeyDALWBGQMSZVZFJ-DHDCSXOGSA-N
MW274.33 g/mol
LogP2.47
Rot. Bonds2

About 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine

3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine (PubChem CID 137390242) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine
PubChem CID137390242
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1/C=c1/c2ccccc2c2cncn12
InChIInChI=1S/C17H14N4/c1-18-17-12(5-4-8-20-17)9-15-13-6-2-3-7-14(13)16-10-19-11-21(15)16/h2-11H,1H3,(H,18,20)/b15-9-
InChIKeyDALWBGQMSZVZFJ-DHDCSXOGSA-N
XLogP2.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine (CID 137390242) is 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine is CNc1ncccc1/C=c1/c2ccccc2c2cncn12.
What is the InChIKey of 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine?
The InChIKey is DALWBGQMSZVZFJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H14N4/c1-18-17-12(5-4-8-20-17)9-15-13-6-2-3-7-14(13)16-10-19-11-21(15)16/h2-11H,1H3,(H,18,20)/b15-9-.
What are the key properties of 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine?
3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-imidazo[1,5-b]isoindol-5-ylidenemethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 137390242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).