N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide

C21H23FN6O3 — CID 169114847

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114847) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 169114847
• Molecular Formula: C21H23FN6O3
• Molecular Weight: 426.45 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide
• SMILES: CO[C@@H]1C[C@H](c2ccc(F)cc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C[C@H]1C
• InChI: InChI=1S/C21H23FN6O3/c1-11-10-28(16(7-17(11)31-2)12-3-5-13(22)6-4-12)21(30)20(29)26-15-9-24-19(23)14-8-25-27-18(14)15/h3-6,8-9,11,16-17H,7,10H2,1-2H3,(H2,23,24)(H,25,27)(H,26,29)/t11-,16-,17-/m1/s1
• InChIKey: NTWBGRKVTGWNQQ-SSKCKEOISA-N
• XLogP: 2.24
• TPSA: 126.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.45
LogP ≤ 5	2.24
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-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169114847) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide is CO[C@@H]1C[C@H](c2ccc(F)cc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C[C@H]1C.

What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide?

The InChIKey is NTWBGRKVTGWNQQ-SSKCKEOISA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-11-10-28(16(7-17(11)31-2)12-3-5-13(22)6-4-12)21(30)20(29)26-15-9-24-19(23)14-8-25-27-18(14)15/h3-6,8-9,11,16-17H,7,10H2,1-2H3,(H2,23,24)(H,25,27)(H,26,29)/t11-,16-,17-/m1/s1.

What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide?

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 426.45 g/mol, XLogP of 2.24, 3 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-[(2R,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).