1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C27H27FN4O3 — CID 86300547

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCC(F)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C27H27FN4O3/c1-17(28)25-22-11-14-31(20-7-5-19(6-8-20)30-13-3-2-4-24(30)33)27(34)26(22)32(29-25)21-9-10-23-18(16-21)12-15-35-23/h5-10,16-17H,2-4,11-15H2,1H3
InChIKeyLGORKKHTVAVDLG-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.56
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 86300547) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID86300547
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCC(F)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C27H27FN4O3/c1-17(28)25-22-11-14-31(20-7-5-19(6-8-20)30-13-3-2-4-24(30)33)27(34)26(22)32(29-25)21-9-10-23-18(16-21)12-15-35-23/h5-10,16-17H,2-4,11-15H2,1H3
InChIKeyLGORKKHTVAVDLG-UHFFFAOYSA-N
XLogP4.56
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 86300547) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is CC(F)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is LGORKKHTVAVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-17(28)25-22-11-14-31(20-7-5-19(6-8-20)30-13-3-2-4-24(30)33)27(34)26(22)32(29-25)21-9-10-23-18(16-21)12-15-35-23/h5-10,16-17H,2-4,11-15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 474.54 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1-fluoroethyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 86300547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).