2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione

C29H27FN4O2 — CID 11271624

IUPAC2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCC(c2nc(-c3ccc(F)cc3)c3ccccn23)CC1
InChIInChI=1S/C29H27FN4O2/c30-22-11-9-20(10-12-22)26-25-8-3-4-16-33(25)27(31-26)21-13-18-32(19-14-21)15-5-17-34-28(35)23-6-1-2-7-24(23)29(34)36/h1-4,6-12,16,21H,5,13-15,17-19H2
InChIKeyMKHOJVXSRAITGW-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.01
Rot. Bonds6

About 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione

2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 11271624) has the molecular formula C29H27FN4O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione
PubChem CID11271624
Molecular FormulaC29H27FN4O2
Molecular Weight482.56 g/mol
Exact Mass482.21
IUPAC Name2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCC(c2nc(-c3ccc(F)cc3)c3ccccn23)CC1
InChIInChI=1S/C29H27FN4O2/c30-22-11-9-20(10-12-22)26-25-8-3-4-16-33(25)27(31-26)21-13-18-32(19-14-21)15-5-17-34-28(35)23-6-1-2-7-24(23)29(34)36/h1-4,6-12,16,21H,5,13-15,17-19H2
InChIKeyMKHOJVXSRAITGW-UHFFFAOYSA-N
XLogP5.01
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione (CID 11271624) is 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN1CCC(c2nc(-c3ccc(F)cc3)c3ccccn23)CC1.
What is the InChIKey of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is MKHOJVXSRAITGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2/c30-22-11-9-20(10-12-22)26-25-8-3-4-16-33(25)27(31-26)21-13-18-32(19-14-21)15-5-17-34-28(35)23-6-1-2-7-24(23)29(34)36/h1-4,6-12,16,21H,5,13-15,17-19H2.
What are the key properties of 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione?
2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 482.56 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 11271624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).