2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione

C25H15N3O3 — CID 163409196

IUPAC2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione
SMILESC#Cc1c(-c2ccco2)cc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc1N
InChIInChI=1S/C25H15N3O3/c1-2-17-20(22-8-5-13-31-22)14-21(27-23(17)26)15-9-11-16(12-10-15)28-24(29)18-6-3-4-7-19(18)25(28)30/h1,3-14H,(H2,26,27)
InChIKeyQSORYTOQPAORRD-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.37
Rot. Bonds3

About 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione

2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione (PubChem CID 163409196) has the molecular formula C25H15N3O3 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione
PubChem CID163409196
Molecular FormulaC25H15N3O3
Molecular Weight405.41 g/mol
Exact Mass405.11
IUPAC Name2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione
SMILESC#Cc1c(-c2ccco2)cc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc1N
InChIInChI=1S/C25H15N3O3/c1-2-17-20(22-8-5-13-31-22)14-21(27-23(17)26)15-9-11-16(12-10-15)28-24(29)18-6-3-4-7-19(18)25(28)30/h1,3-14H,(H2,26,27)
InChIKeyQSORYTOQPAORRD-UHFFFAOYSA-N
XLogP4.37
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide
CID 11797833
2-amino-6-(furan-2-yl)-4-naphthalen-2-ylpyridine-3-carbonitrile
CID 166594868
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
CID 975179
2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10446308
2-amino-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10039244
4-(furan-2-yl)-3-methanimidoyl-6-(4-methylsulfonylphenyl)pyridin-2-amine
CID 142908445
4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 75360077
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione (CID 163409196) is 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione is C#Cc1c(-c2ccco2)cc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc1N.
What is the InChIKey of 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione?
The InChIKey is QSORYTOQPAORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O3/c1-2-17-20(22-8-5-13-31-22)14-21(27-23(17)26)15-9-11-16(12-10-15)28-24(29)18-6-3-4-7-19(18)25(28)30/h1,3-14H,(H2,26,27).
What are the key properties of 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione?
2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione has a molecular weight of 405.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-ethynyl-4-(furan-2-yl)-2-pyridinyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 163409196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).