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

C26H24FN5O4 — CID 85472322

IUPAC1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2cc3c(cc2F)OCC3)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C26H24FN5O4/c27-19-14-21-15(9-12-36-21)13-20(19)32-24-18(23(29-32)25(28)34)8-11-31(26(24)35)17-6-4-16(5-7-17)30-10-2-1-3-22(30)33/h4-7,13-14H,1-3,8-12H2,(H2,28,34)
InChIKeyYIUJUNOOOWBCFQ-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.77
Rot. Bonds4

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

1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 85472322) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID85472322
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC Name1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2cc3c(cc2F)OCC3)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C26H24FN5O4/c27-19-14-21-15(9-12-36-21)13-20(19)32-24-18(23(29-32)25(28)34)8-11-31(26(24)35)17-6-4-16(5-7-17)30-10-2-1-3-22(30)33/h4-7,13-14H,1-3,8-12H2,(H2,28,34)
InChIKeyYIUJUNOOOWBCFQ-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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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087043
ethane;1-(4-methylsulfanylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144843507
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
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
1-(2-fluorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 144843497
1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 130194464
1-(2,4-dimethoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086903
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-(4-methylthiophen-2-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122482904
1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498653
1-(2-methoxyphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086891

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 85472322) is 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2cc3c(cc2F)OCC3)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YIUJUNOOOWBCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c27-19-14-21-15(9-12-36-21)13-20(19)32-24-18(23(29-32)25(28)34)8-11-31(26(24)35)17-6-4-16(5-7-17)30-10-2-1-3-22(30)33/h4-7,13-14H,1-3,8-12H2,(H2,28,34).
What are the key properties of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-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-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 85472322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).