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

C26H31FN4O — CID 92621168

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

(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 92621168) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• PubChem CID: 92621168
• Molecular Formula: C26H31FN4O
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.25
• IUPAC Name: (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
• SMILES: CC(C)c1ccc(CN2Cc3cn(C)nc3[C@@H](C(=O)NCCc3ccc(F)cc3)C2)cc1
• InChI: InChI=1S/C26H31FN4O/c1-18(2)21-8-4-20(5-9-21)14-31-16-22-15-30(3)29-25(22)24(17-31)26(32)28-13-12-19-6-10-23(27)11-7-19/h4-11,15,18,24H,12-14,16-17H2,1-3H3,(H,28,32)/t24-/m0/s1
• InChIKey: CSXYDQQXIPHCSG-DEOSSOPVSA-N
• XLogP: 4.14
• TPSA: 50.16 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	434.56
LogP ≤ 5	4.14
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-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The IUPAC name of (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 92621168) is (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-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-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?

The canonical SMILES for (7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is CC(C)c1ccc(CN2Cc3cn(C)nc3[C@@H](C(=O)NCCc3ccc(F)cc3)C2)cc1.

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

The InChIKey is CSXYDQQXIPHCSG-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-18(2)21-8-4-20(5-9-21)14-31-16-22-15-30(3)29-25(22)24(17-31)26(32)28-13-12-19-6-10-23(27)11-7-19/h4-11,15,18,24H,12-14,16-17H2,1-3H3,(H,28,32)/t24-/m0/s1.

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

(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.14, 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-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 92621168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).