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

C26H20FN5O4 — CID 86300549

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(-n3cccc(F)c3=O)cc1)C2=O
InChIInChI=1S/C26H20FN5O4/c27-20-2-1-11-30(25(20)34)16-3-5-17(6-4-16)31-12-9-19-22(24(28)33)29-32(23(19)26(31)35)18-7-8-21-15(14-18)10-13-36-21/h1-8,11,14H,9-10,12-13H2,(H2,28,33)
InChIKeySENQCELDRHMVLC-UHFFFAOYSA-N
MW485.48 g/mol
LogP2.40
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 86300549) has the molecular formula C26H20FN5O4 and a molecular weight of 485.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID86300549
Molecular FormulaC26H20FN5O4
Molecular Weight485.48 g/mol
Exact Mass485.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(-n3cccc(F)c3=O)cc1)C2=O
InChIInChI=1S/C26H20FN5O4/c27-20-2-1-11-30(25(20)34)16-3-5-17(6-4-16)31-12-9-19-22(24(28)33)29-32(23(19)26(31)35)18-7-8-21-15(14-18)10-13-36-21/h1-8,11,14H,9-10,12-13H2,(H2,28,33)
InChIKeySENQCELDRHMVLC-UHFFFAOYSA-N
XLogP2.40
TPSA112.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)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-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 86300549) is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)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-[4-(3-fluoro-2-oxo-1-pyridinyl)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-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(-n3cccc(F)c3=O)cc1)C2=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is SENQCELDRHMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O4/c27-20-2-1-11-30(25(20)34)16-3-5-17(6-4-16)31-12-9-19-22(24(28)33)29-32(23(19)26(31)35)18-7-8-21-15(14-18)10-13-36-21/h1-8,11,14H,9-10,12-13H2,(H2,28,33).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 485.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 86300549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).