2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

C26H17FN4O2 — CID 59242740

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2cccc(F)n2)CC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C26H17FN4O2/c27-24-7-3-4-16(29-24)14-30-22-9-8-15(13-28)10-20(22)21-11-17(12-23(21)30)31-25(32)18-5-1-2-6-19(18)26(31)33/h1-10,17H,11-12,14H2
InChIKeyCVFOFHLDSDLLRB-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.86
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile

2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (PubChem CID 59242740) has the molecular formula C26H17FN4O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
PubChem CID59242740
Molecular FormulaC26H17FN4O2
Molecular Weight436.45 g/mol
Exact Mass436.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2cccc(F)n2)CC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C26H17FN4O2/c27-24-7-3-4-16(29-24)14-30-22-9-8-15(13-28)10-20(22)21-11-17(12-23(21)30)31-25(32)18-5-1-2-6-19(18)26(31)33/h1-10,17H,11-12,14H2
InChIKeyCVFOFHLDSDLLRB-UHFFFAOYSA-N
XLogP3.86
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile (CID 59242740) is 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is N#Cc1ccc2c(c1)c1c(n2Cc2cccc(F)n2)CC(N2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
The InChIKey is CVFOFHLDSDLLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN4O2/c27-24-7-3-4-16(29-24)14-30-22-9-8-15(13-28)10-20(22)21-11-17(12-23(21)30)31-25(32)18-5-1-2-6-19(18)26(31)33/h1-10,17H,11-12,14H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile?
2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile has a molecular weight of 436.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-[(6-fluoro-2-pyridinyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile is sourced from PubChem (CID 59242740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).