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

C27H20F3N5O4 — CID 86300249

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(-n3cc(C(F)(F)F)ccc3=O)cc1)C2=O
InChIInChI=1S/C27H20F3N5O4/c28-27(29,30)16-1-8-22(36)34(14-16)18-4-2-17(3-5-18)33-11-9-20-23(25(31)37)32-35(24(20)26(33)38)19-6-7-21-15(13-19)10-12-39-21/h1-8,13-14H,9-12H2,(H2,31,37)
InChIKeyDISNGAGYAAESRB-UHFFFAOYSA-N
MW535.48 g/mol
LogP3.28
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 86300249) has the molecular formula C27H20F3N5O4 and a molecular weight of 535.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID86300249
Molecular FormulaC27H20F3N5O4
Molecular Weight535.48 g/mol
Exact Mass535.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(-n3cc(C(F)(F)F)ccc3=O)cc1)C2=O
InChIInChI=1S/C27H20F3N5O4/c28-27(29,30)16-1-8-22(36)34(14-16)18-4-2-17(3-5-18)33-11-9-20-23(25(31)37)32-35(24(20)26(33)38)19-6-7-21-15(13-19)10-12-39-21/h1-8,13-14H,9-12H2,(H2,31,37)
InChIKeyDISNGAGYAAESRB-UHFFFAOYSA-N
XLogP3.28
TPSA112.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 86300249) is 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc3c(c2)CCO3)c2c1CCN(c1ccc(-n3cc(C(F)(F)F)ccc3=O)cc1)C2=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is DISNGAGYAAESRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O4/c28-27(29,30)16-1-8-22(36)34(14-16)18-4-2-17(3-5-18)33-11-9-20-23(25(31)37)32-35(24(20)26(33)38)19-6-7-21-15(13-19)10-12-39-21/h1-8,13-14H,9-12H2,(H2,31,37).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 535.48 g/mol, XLogP of 3.28, 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)-7-oxo-6-[4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 86300249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).