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

C25H25N5O4 — CID 45254828

IUPAC4,4,5,5-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
SMILES[2H]c1c([2H])c(N2C(=O)c3c(c(C(N)=O)nn3-c3ccc(OC([2H])([2H])[2H])cc3)C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1N1C(=O)C([2H])([2H])CCC1([2H])[2H]
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)/i1D3,4D2,5D,6D,7D,8D,13D2,14D2,15D2
InChIKeyQNZCBYKSOIHPEH-NBECHMGMSA-N
MW474.60 g/mol
LogP2.70
Rot. Bonds6

About 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

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 (PubChem CID 45254828) has the molecular formula C25H25N5O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,4,5,5-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
PubChem CID45254828
Molecular FormulaC25H25N5O4
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC Name4,4,5,5-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
SMILES[2H]c1c([2H])c(N2C(=O)c3c(c(C(N)=O)nn3-c3ccc(OC([2H])([2H])[2H])cc3)C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1N1C(=O)C([2H])([2H])CCC1([2H])[2H]
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)/i1D3,4D2,5D,6D,7D,8D,13D2,14D2,15D2
InChIKeyQNZCBYKSOIHPEH-NBECHMGMSA-N
XLogP2.70
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(N2C(=O)c3c(c(C(N)=O)nn3-c3ccc(OC([2H])([2H])[2H])cc3)C([2H])([2H])C2([2H])[2H])c([2H])c([2H])c1N1C(=O)C([2H])([2H])CCC1([2H])[2H].
What is the InChIKey of 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?
The InChIKey is QNZCBYKSOIHPEH-NBECHMGMSA-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)/i1D3,4D2,5D,6D,7D,8D,13D2,14D2,15D2.
What are the key properties of 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?
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 has a molecular weight of 474.60 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 45254828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).