4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide

C25H25N5O4 — CID 89059625

IUPAC4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILES[2H]c1c([2H])c(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC([2H])([2H])C4=O)cc2)CC3([2H])[2H])c([2H])c([2H])c1OC
InChIInChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)/i4D2,9D,10D,11D,12D,13D2
InChIKeyQNZCBYKSOIHPEH-IPDVIYOFSA-N
MW467.55 g/mol
LogP2.70
Rot. Bonds5

About 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide

4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 89059625) has the molecular formula C25H25N5O4 and a molecular weight of 467.55 g/mol. Its IUPAC name is 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID89059625
Molecular FormulaC25H25N5O4
Molecular Weight467.55 g/mol
Exact Mass467.24
IUPAC Name4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILES[2H]c1c([2H])c(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC([2H])([2H])C4=O)cc2)CC3([2H])[2H])c([2H])c([2H])c1OC
InChIInChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)/i4D2,9D,10D,11D,12D,13D2
InChIKeyQNZCBYKSOIHPEH-IPDVIYOFSA-N
XLogP2.70
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059681
4,4-dideuterio-7-oxo-6-[2,3,5,6-tetradeuterio-4-(2,2,3,3,4,4-hexadeuterio-6-oxopiperidin-1-yl)phenyl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059652
4,4-dideuterio-7-oxo-6-[2,3,5,6-tetradeuterio-4-(2,2,5,5-tetradeuterio-6-oxopiperidin-1-yl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 45256047
6-[4-(3,3,4,4,5,5-hexadeuterio-2-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059700
4,4,5,5-tetradeuterio-7-oxo-6-[2,3,5,6-tetradeuterio-4-(2,2,5,5-tetradeuterio-6-oxopiperidin-1-yl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 45254828
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
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
4,4,5,5-tetradeuterio-6-[4-(2,2,3,3,4,4-hexadeuterio-6-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxopyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059669
1-(4-methoxyphenyl)-7-oxo-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 163543726
1-(2,4-dimethoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086903
5,5-dideuterio-7-oxo-6-[2,3,5,6-tetradeuterio-4-(3,3,4,4,5,5-hexadeuterio-2-oxopiperidin-1-yl)phenyl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 45255048
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131

Frequently Asked Questions

What is the IUPAC name of 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 89059625) is 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide is [2H]c1c([2H])c(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC([2H])([2H])C4=O)cc2)CC3([2H])[2H])c([2H])c([2H])c1OC.
What is the InChIKey of 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is QNZCBYKSOIHPEH-IPDVIYOFSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)/i4D2,9D,10D,11D,12D,13D2.
What are the key properties of 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?
4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-7-oxo-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-5H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 89059625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).