N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide

C26H33N7O2 — CID 169113958

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 169113958) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 169113958
• Molecular Formula: C26H33N7O2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.27
• IUPAC Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide
• SMILES: CC1CCC(c2ccc3c(c2)CCN(C)C3(C)C)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
• InChI: InChI=1S/C26H33N7O2/c1-15-5-8-21(17-6-7-19-16(11-17)9-10-32(4)26(19,2)3)33(14-15)25(35)24(34)30-20-13-28-23(27)18-12-29-31-22(18)20/h6-7,11-13,15,21H,5,8-10,14H2,1-4H3,(H2,27,28)(H,29,31)(H,30,34)
• InChIKey: XJZZRUMYBFTHFG-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 120.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide (CID 169113958) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide is CC1CCC(c2ccc3c(c2)CCN(C)C3(C)C)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1.

What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

The InChIKey is XJZZRUMYBFTHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-15-5-8-21(17-6-7-19-16(11-17)9-10-32(4)26(19,2)3)33(14-15)25(35)24(34)30-20-13-28-23(27)18-12-29-31-22(18)20/h6-7,11-13,15,21H,5,8-10,14H2,1-4H3,(H2,27,28)(H,29,31)(H,30,34).

What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide?

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 475.60 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).