1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H29FN6O2 — CID 26232628

About 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26232628) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26232628
• Molecular Formula: C27H29FN6O2
• Molecular Weight: 488.57 g/mol
• Exact Mass: 488.23
• IUPAC Name: 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(Cc1cn[nH]c1-c1ccc(F)cc1)C2
• InChI: InChI=1S/C27H29FN6O2/c1-3-34-24-12-13-33(16-20-15-30-31-25(20)19-6-8-21(28)9-7-19)17-23(24)26(32-34)27(35)29-14-18-4-10-22(36-2)11-5-18/h4-11,15H,3,12-14,16-17H2,1-2H3,(H,29,35)(H,30,31)
• InChIKey: GHEDIEPOLJSJDF-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 88.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.57
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26232628) is 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(Cc1cn[nH]c1-c1ccc(F)cc1)C2.

What is the InChIKey of 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is GHEDIEPOLJSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-3-34-24-12-13-33(16-20-15-30-31-25(20)19-6-8-21(28)9-7-19)17-23(24)26(32-34)27(35)29-14-18-4-10-22(36-2)11-5-18/h4-11,15H,3,12-14,16-17H2,1-2H3,(H,29,35)(H,30,31).

What are the key properties of 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26232628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).