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

C20H20N6O — CID 138524366

IUPAC7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(Nc3cccc(-c4nncn4C4CCCC4)n3)c21
InChIInChI=1S/C20H20N6O/c27-20-18-13(11-21-20)5-3-8-15(18)23-17-10-4-9-16(24-17)19-25-22-12-26(19)14-6-1-2-7-14/h3-5,8-10,12,14H,1-2,6-7,11H2,(H,21,27)(H,23,24)
InChIKeyXLRPWFRRFHPBPY-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.44
Rot. Bonds4

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

7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 138524366) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
PubChem CID138524366
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(Nc3cccc(-c4nncn4C4CCCC4)n3)c21
InChIInChI=1S/C20H20N6O/c27-20-18-13(11-21-20)5-3-8-15(18)23-17-10-4-9-16(24-17)19-25-22-12-26(19)14-6-1-2-7-14/h3-5,8-10,12,14H,1-2,6-7,11H2,(H,21,27)(H,23,24)
InChIKeyXLRPWFRRFHPBPY-UHFFFAOYSA-N
XLogP3.44
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

7-[[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]-2-methyl-3H-isoindol-1-one
CID 138524606
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 161302352
phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
CID 171484382
7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
CID 138524614
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 157296043
N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methyl-6-oxo-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 171483474
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
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
CID 62710243
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 118450800
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
CID 155359333
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
CID 135347965
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one
CID 135351043

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 138524366) is 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(Nc3cccc(-c4nncn4C4CCCC4)n3)c21.
What is the InChIKey of 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The InChIKey is XLRPWFRRFHPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20-18-13(11-21-20)5-3-8-15(18)23-17-10-4-9-16(24-17)19-25-22-12-26(19)14-6-1-2-7-14/h3-5,8-10,12,14H,1-2,6-7,11H2,(H,21,27)(H,23,24).
What are the key properties of 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 360.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 138524366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).