N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide

C37H36F3N9O — CID 176654479

About N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide (PubChem CID 176654479) has the molecular formula C37H36F3N9O and a molecular weight of 679.75 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide
• PubChem CID: 176654479
• Molecular Formula: C37H36F3N9O
• Molecular Weight: 679.75 g/mol
• Exact Mass: 679.30
• IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide
• SMILES: CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(-c4cnn5cc(-c6cnn(C)c6)cc(-c6cnccn6)c45)cc3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C37H36F3N9O/c1-3-47-12-14-48(15-13-47)23-27-8-9-30(18-33(27)37(38,39)40)45-35(50)16-25-4-6-26(7-5-25)32-20-44-49-24-28(29-19-43-46(2)22-29)17-31(36(32)49)34-21-41-10-11-42-34/h4-11,17-22,24H,3,12-16,23H2,1-2H3,(H,45,50)
• InChIKey: JQMHILHCGPZOEJ-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 96.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.75
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide?

The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide (CID 176654479) is N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide is CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(-c4cnn5cc(-c6cnn(C)c6)cc(-c6cnccn6)c45)cc3)cc2C(F)(F)F)CC1.

What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide?

The InChIKey is JQMHILHCGPZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36F3N9O/c1-3-47-12-14-48(15-13-47)23-27-8-9-30(18-33(27)37(38,39)40)45-35(50)16-25-4-6-26(7-5-25)32-20-44-49-24-28(29-19-43-46(2)22-29)17-31(36(32)49)34-21-41-10-11-42-34/h4-11,17-22,24H,3,12-16,23H2,1-2H3,(H,45,50).

What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide?

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide has a molecular weight of 679.75 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-[6-(1-methylpyrazol-4-yl)-4-pyrazin-2-ylpyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide is sourced from PubChem (CID 176654479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).