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

C26H26FN5O4 — CID 118086944

IUPAC1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2C)CC3)ccc1F
InChIInChI=1S/C26H26FN5O4/c1-15-13-16(30-11-4-3-5-22(30)33)7-9-20(15)31-12-10-18-23(25(28)34)29-32(24(18)26(31)35)17-6-8-19(27)21(14-17)36-2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,28,34)
InChIKeyUTRPLQUKTQGPMT-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.15
Rot. Bonds5

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

1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086944) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086944
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2C)CC3)ccc1F
InChIInChI=1S/C26H26FN5O4/c1-15-13-16(30-11-4-3-5-22(30)33)7-9-20(15)31-12-10-18-23(25(28)34)29-32(24(18)26(31)35)17-6-8-19(27)21(14-17)36-2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,28,34)
InChIKeyUTRPLQUKTQGPMT-UHFFFAOYSA-N
XLogP3.15
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086944) is 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2C)CC3)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is UTRPLQUKTQGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-15-13-16(30-11-4-3-5-22(30)33)7-9-20(15)31-12-10-18-23(25(28)34)29-32(24(18)26(31)35)17-6-8-19(27)21(14-17)36-2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,28,34).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-6-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).