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

C25H23F2N5O4 — CID 130194464

IUPAC1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2OC(F)F)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C25H23F2N5O4/c26-25(27)36-19-6-2-1-5-18(19)32-22-17(21(29-32)23(28)34)12-14-31(24(22)35)16-10-8-15(9-11-16)30-13-4-3-7-20(30)33/h1-2,5-6,8-11,25H,3-4,7,12-14H2,(H2,28,34)
InChIKeyXEHHRSNHPWAMGK-UHFFFAOYSA-N
MW495.49 g/mol
LogP3.29
Rot. Bonds6

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

1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 130194464) has the molecular formula C25H23F2N5O4 and a molecular weight of 495.49 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID130194464
Molecular FormulaC25H23F2N5O4
Molecular Weight495.49 g/mol
Exact Mass495.17
IUPAC Name1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2OC(F)F)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C25H23F2N5O4/c26-25(27)36-19-6-2-1-5-18(19)32-22-17(21(29-32)23(28)34)12-14-31(24(22)35)16-10-8-15(9-11-16)30-13-4-3-7-20(30)33/h1-2,5-6,8-11,25H,3-4,7,12-14H2,(H2,28,34)
InChIKeyXEHHRSNHPWAMGK-UHFFFAOYSA-N
XLogP3.29
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086891
1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 145026685
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
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-(2-fluorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 144843497
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144670144
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
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
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
ethane;1-(4-methylsulfanylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144843507
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 130194464) is 1-[2-(difluoromethoxy)phenyl]-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-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccccc2OC(F)F)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is XEHHRSNHPWAMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O4/c26-25(27)36-19-6-2-1-5-18(19)32-22-17(21(29-32)23(28)34)12-14-31(24(22)35)16-10-8-15(9-11-16)30-13-4-3-7-20(30)33/h1-2,5-6,8-11,25H,3-4,7,12-14H2,(H2,28,34).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 130194464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).