5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride

C28H27BrClF4N5O2 — CID 163202156

About 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride

5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163202156) has the molecular formula C28H27BrClF4N5O2 and a molecular weight of 656.91 g/mol. Its IUPAC name is 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
• PubChem CID: 163202156
• Molecular Formula: C28H27BrClF4N5O2
• Molecular Weight: 656.91 g/mol
• Exact Mass: 655.10
• IUPAC Name: 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
• SMILES: Cc1nn2ccc(Br)cc2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)c(F)c1.Cl
• InChI: InChI=1S/C28H26BrF4N5O2.ClH/c1-17-16-36(11-12-37(17)21-4-6-22(7-5-21)40-28(31,32)33)24-8-3-19(13-23(24)30)15-34-27(39)26-18(2)35-38-10-9-20(29)14-25(26)38;/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,34,39);1H/t17-;/m0./s1
• InChIKey: AQOAZWBHGKVIQH-LMOVPXPDSA-N
• XLogP: 6.51
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.91
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride?

The IUPAC name of 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride (CID 163202156) is 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride?

The canonical SMILES for 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride is Cc1nn2ccc(Br)cc2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)c(F)c1.Cl.

What is the InChIKey of 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride?

The InChIKey is AQOAZWBHGKVIQH-LMOVPXPDSA-N. The full InChI is InChI=1S/C28H26BrF4N5O2.ClH/c1-17-16-36(11-12-37(17)21-4-6-22(7-5-21)40-28(31,32)33)24-8-3-19(13-23(24)30)15-34-27(39)26-18(2)35-38-10-9-20(29)14-25(26)38;/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,34,39);1H/t17-;/m0./s1.

What are the key properties of 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride?

5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 656.91 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163202156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).