7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one

C18H16N6O — CID 138524614

IUPAC7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3c2C(=O)N=C3)n1
InChIInChI=1S/C18H16N6O/c1-11(2)24-10-20-23-17(24)14-7-4-8-15(22-14)21-13-6-3-5-12-9-19-18(25)16(12)13/h3-11H,1-2H3,(H,21,22)
InChIKeyZPLNPPDJLMFEIK-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.24
Rot. Bonds4

About 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one

7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one (PubChem CID 138524614) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one.

Molecular Properties

Compound Name7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
PubChem CID138524614
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3c2C(=O)N=C3)n1
InChIInChI=1S/C18H16N6O/c1-11(2)24-10-20-23-17(24)14-7-4-8-15(22-14)21-13-6-3-5-12-9-19-18(25)16(12)13/h3-11H,1-2H3,(H,21,22)
InChIKeyZPLNPPDJLMFEIK-UHFFFAOYSA-N
XLogP3.24
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524585
N-[2-[3-oxo-4-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-isoindol-2-yl]ethyl]acetamide
CID 138524558
7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
CID 138524606
methyl 4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinoline-2-carboxylate
CID 138524624
2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524584
2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524659
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541
5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide
CID 151285009
2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524656
2-[3-[6-[(4-oxo-1H-quinolin-5-yl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propanenitrile
CID 138524519
2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane
CID 142619227
2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyridine-3-carboxamide
CID 153384507

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one?
The IUPAC name of 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one (CID 138524614) is 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one.
What is the SMILES notation for 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one?
The canonical SMILES for 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one is CC(C)n1cnnc1-c1cccc(Nc2cccc3c2C(=O)N=C3)n1.
What is the InChIKey of 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one?
The InChIKey is ZPLNPPDJLMFEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11(2)24-10-20-23-17(24)14-7-4-8-15(22-14)21-13-6-3-5-12-9-19-18(25)16(12)13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one?
7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one has a molecular weight of 332.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one is sourced from PubChem (CID 138524614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).