3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one

C27H23ClN4O — CID 46204949

IUPAC3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one
SMILESO=C(CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1CCCc2ncccc21
InChIInChI=1S/C27H23ClN4O/c28-20-11-9-19(10-12-20)27(22-6-2-1-5-21(22)26-30-16-18-32(26)27)14-13-25(33)31-17-4-7-23-24(31)8-3-15-29-23/h1-3,5-6,8-12,15-16,18H,4,7,13-14,17H2
InChIKeyMIFMDVFVEQJENS-UHFFFAOYSA-N
MW454.96 g/mol
LogP5.46
Rot. Bonds4

About 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one

3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one (PubChem CID 46204949) has the molecular formula C27H23ClN4O and a molecular weight of 454.96 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one
PubChem CID46204949
Molecular FormulaC27H23ClN4O
Molecular Weight454.96 g/mol
Exact Mass454.16
IUPAC Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one
SMILESO=C(CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1CCCc2ncccc21
InChIInChI=1S/C27H23ClN4O/c28-20-11-9-19(10-12-20)27(22-6-2-1-5-21(22)26-30-16-18-32(26)27)14-13-25(33)31-17-4-7-23-24(31)8-3-15-29-23/h1-3,5-6,8-12,15-16,18H,4,7,13-14,17H2
InChIKeyMIFMDVFVEQJENS-UHFFFAOYSA-N
XLogP5.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one (CID 46204949) is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one is O=C(CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1CCCc2ncccc21.
What is the InChIKey of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one?
The InChIKey is MIFMDVFVEQJENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O/c28-20-11-9-19(10-12-20)27(22-6-2-1-5-21(22)26-30-16-18-32(26)27)14-13-25(33)31-17-4-7-23-24(31)8-3-15-29-23/h1-3,5-6,8-12,15-16,18H,4,7,13-14,17H2.
What are the key properties of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one?
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one has a molecular weight of 454.96 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)propan-1-one is sourced from PubChem (CID 46204949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).