formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C23H30N4O6 — CID 171325141

IUPACformic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1n[nH]c2c1CCN(C(=O)CCCC(=O)c1ccccc1)C2.O=CO
InChIInChI=1S/C22H28N4O4.CH2O2/c1-22(2,14-27)23-21(30)20-16-11-12-26(13-17(16)24-25-20)19(29)10-6-9-18(28)15-7-4-3-5-8-15;2-1-3/h3-5,7-8,27H,6,9-14H2,1-2H3,(H,23,30)(H,24,25);1H,(H,2,3)
InChIKeyWYRJCTLLJOGQBE-UHFFFAOYSA-N
MW458.52 g/mol
LogP1.55
Rot. Bonds8

About formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171325141) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171325141
Molecular FormulaC23H30N4O6
Molecular Weight458.52 g/mol
Exact Mass458.22
IUPAC Nameformic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1n[nH]c2c1CCN(C(=O)CCCC(=O)c1ccccc1)C2.O=CO
InChIInChI=1S/C22H28N4O4.CH2O2/c1-22(2,14-27)23-21(30)20-16-11-12-26(13-17(16)24-25-20)19(29)10-6-9-18(28)15-7-4-3-5-8-15;2-1-3/h3-5,7-8,27H,6,9-14H2,1-2H3,(H,23,30)(H,24,25);1H,(H,2,3)
InChIKeyWYRJCTLLJOGQBE-UHFFFAOYSA-N
XLogP1.55
TPSA152.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171325141) is formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CC(C)(CO)NC(=O)c1n[nH]c2c1CCN(C(=O)CCCC(=O)c1ccccc1)C2.O=CO.
What is the InChIKey of formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WYRJCTLLJOGQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4.CH2O2/c1-22(2,14-27)23-21(30)20-16-11-12-26(13-17(16)24-25-20)19(29)10-6-9-18(28)15-7-4-3-5-8-15;2-1-3/h3-5,7-8,27H,6,9-14H2,1-2H3,(H,23,30)(H,24,25);1H,(H,2,3).
What are the key properties of formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 1.55, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-oxo-5-phenylpentanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171325141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).