1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C26H24FN5O4 — CID 86300252

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(N3CCCCC3=O)c(F)c1)C2=O
InChIInChI=1S/C26H24FN5O4/c27-19-14-16(4-6-20(19)31-10-2-1-3-22(31)33)30-11-8-18-23(25(28)34)29-32(24(18)26(30)35)17-5-7-21-15(13-17)9-12-36-21/h4-7,13-14H,1-3,8-12H2,(H2,28,34)
InChIKeySZNNFYNOYRSSMS-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 86300252) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID86300252
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(N3CCCCC3=O)c(F)c1)C2=O
InChIInChI=1S/C26H24FN5O4/c27-19-14-16(4-6-20(19)31-10-2-1-3-22(31)33)30-11-8-18-23(25(28)34)29-32(24(18)26(30)35)17-5-7-21-15(13-17)9-12-36-21/h4-7,13-14H,1-3,8-12H2,(H2,28,34)
InChIKeySZNNFYNOYRSSMS-UHFFFAOYSA-N
XLogP2.77
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 86300252) is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(N3CCCCC3=O)c(F)c1)C2=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is SZNNFYNOYRSSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c27-19-14-16(4-6-20(19)31-10-2-1-3-22(31)33)30-11-8-18-23(25(28)34)29-32(24(18)26(30)35)17-5-7-21-15(13-17)9-12-36-21/h4-7,13-14H,1-3,8-12H2,(H2,28,34).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 86300252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).