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

C25H25N5O4 — CID 89059669

IUPAC4,4,5,5-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
SMILES[2H]C1([2H])CC(=O)N(c2ccc(N3C(=O)c4c(c(C(N)=O)nn4-c4ccc(OC)cc4)C([2H])([2H])C3([2H])[2H])cc2)C([2H])([2H])C1([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)/i2D2,3D2,13D2,14D2,15D2
InChIKeyQNZCBYKSOIHPEH-WSLBWKRGSA-N
MW469.57 g/mol
LogP2.70
Rot. Bonds5

About 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

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 (PubChem CID 89059669) has the molecular formula C25H25N5O4 and a molecular weight of 469.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,4,5,5-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
PubChem CID89059669
Molecular FormulaC25H25N5O4
Molecular Weight469.57 g/mol
Exact Mass469.25
IUPAC Name4,4,5,5-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
SMILES[2H]C1([2H])CC(=O)N(c2ccc(N3C(=O)c4c(c(C(N)=O)nn4-c4ccc(OC)cc4)C([2H])([2H])C3([2H])[2H])cc2)C([2H])([2H])C1([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)/i2D2,3D2,13D2,14D2,15D2
InChIKeyQNZCBYKSOIHPEH-WSLBWKRGSA-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 ≤ 500469.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C1([2H])CC(=O)N(c2ccc(N3C(=O)c4c(c(C(N)=O)nn4-c4ccc(OC)cc4)C([2H])([2H])C3([2H])[2H])cc2)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 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?
The InChIKey is QNZCBYKSOIHPEH-WSLBWKRGSA-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)/i2D2,3D2,13D2,14D2,15D2.
What are the key properties of 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?
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 has a molecular weight of 469.57 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 4,4,5,5-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 is sourced from PubChem (CID 89059669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).