(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C25H27FN4O2 — CID 129360922

About (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 129360922) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• PubChem CID: 129360922
• Molecular Formula: C25H27FN4O2
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.21
• IUPAC Name: (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• SMILES: Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)CCc1ccccc1)C2
• InChI: InChI=1S/C25H27FN4O2/c1-29-15-20-16-30(23(31)12-9-18-5-3-2-4-6-18)17-22(24(20)28-29)25(32)27-14-13-19-7-10-21(26)11-8-19/h2-8,10-11,15,22H,9,12-14,16-17H2,1H3,(H,27,32)/t22-/m0/s1
• InChIKey: QJWUWOVICGCTKE-QFIPXVFZSA-N
• XLogP: 2.98
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The IUPAC name of (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 129360922) is (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

What is the SMILES notation for (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The canonical SMILES for (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)CCc1ccccc1)C2.

What is the InChIKey of (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The InChIKey is QJWUWOVICGCTKE-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-29-15-20-16-30(23(31)12-9-18-5-3-2-4-6-18)17-22(24(20)28-29)25(32)27-14-13-19-7-10-21(26)11-8-19/h2-8,10-11,15,22H,9,12-14,16-17H2,1H3,(H,27,32)/t22-/m0/s1.

What are the key properties of (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 129360922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).