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

C26H26FN5O5 — CID 118087049

IUPAC1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2OC)CC3)cc1F
InChIInChI=1S/C26H26FN5O5/c1-36-20-9-7-16(13-18(20)27)32-24-17(23(29-32)25(28)34)10-12-31(26(24)35)19-8-6-15(14-21(19)37-2)30-11-4-3-5-22(30)33/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,28,34)
InChIKeyHCHIPIKVHZYLFG-UHFFFAOYSA-N
MW507.52 g/mol
LogP2.85
Rot. Bonds6

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

1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118087049) has the molecular formula C26H26FN5O5 and a molecular weight of 507.52 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118087049
Molecular FormulaC26H26FN5O5
Molecular Weight507.52 g/mol
Exact Mass507.19
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2OC)CC3)cc1F
InChIInChI=1S/C26H26FN5O5/c1-36-20-9-7-16(13-18(20)27)32-24-17(23(29-32)25(28)34)10-12-31(26(24)35)19-8-6-15(14-21(19)37-2)30-11-4-3-5-22(30)33/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,28,34)
InChIKeyHCHIPIKVHZYLFG-UHFFFAOYSA-N
XLogP2.85
TPSA119.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)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-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118087049) is 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2OC)CC3)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is HCHIPIKVHZYLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O5/c1-36-20-9-7-16(13-18(20)27)32-24-17(23(29-32)25(28)34)10-12-31(26(24)35)19-8-6-15(14-21(19)37-2)30-11-4-3-5-22(30)33/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,28,34).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118087049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).