5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide

C20H28N4O2 — CID 146114810

IUPAC5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCn1ncc2c1CCN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2C(N)=O
InChIInChI=1S/C20H28N4O2/c1-23-16-2-3-24(18(19(21)26)15(16)11-22-23)17(25)10-20-7-12-4-13(8-20)6-14(5-12)9-20/h11-14,18H,2-10H2,1H3,(H2,21,26)
InChIKeyHCYXEPRZRBCETH-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.94
Rot. Bonds3

About 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide

5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide (PubChem CID 146114810) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
PubChem CID146114810
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCn1ncc2c1CCN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2C(N)=O
InChIInChI=1S/C20H28N4O2/c1-23-16-2-3-24(18(19(21)26)15(16)11-22-23)17(25)10-20-7-12-4-13(8-20)6-14(5-12)9-20/h11-14,18H,2-10H2,1H3,(H2,21,26)
InChIKeyHCYXEPRZRBCETH-UHFFFAOYSA-N
XLogP1.94
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide (CID 146114810) is 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide is Cn1ncc2c1CCN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2C(N)=O.
What is the InChIKey of 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The InChIKey is HCYXEPRZRBCETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23-16-2-3-24(18(19(21)26)15(16)11-22-23)17(25)10-20-7-12-4-13(8-20)6-14(5-12)9-20/h11-14,18H,2-10H2,1H3,(H2,21,26).
What are the key properties of 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 146114810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).