3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide

C56H51BrF6N12O2 — CID 164962608

About 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide

3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide (PubChem CID 164962608) has the molecular formula C56H51BrF6N12O2 and a molecular weight of 1118.00 g/mol. Its IUPAC name is 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide
• PubChem CID: 164962608
• Molecular Formula: C56H51BrF6N12O2
• Molecular Weight: 1118.00 g/mol
• Exact Mass: 1116.33
• IUPAC Name: 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide
• SMILES: Brc1cnn2ccccc12.C#Cc1cncc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c1.CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnn5ccccc45)c3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C28H25F3N6O.C21H21F3N4O.C7H5BrN2/c1-35-10-12-36(13-11-35)19-22-7-8-24(15-25(22)28(29,30)31)34-27(38)23-14-20(16-32-17-23)5-6-21-18-33-37-9-3-2-4-26(21)37;1-3-15-10-17(13-25-12-15)20(29)26-18-5-4-16(19(11-18)21(22,23)24)14-28-8-6-27(2)7-9-28;8-6-5-9-10-4-2-1-3-7(6)10/h2-4,7-9,14-18H,10-13,19H2,1H3,(H,34,38);1,4-5,10-13H,6-9,14H2,2H3,(H,26,29);1-5H
• InChIKey: CAXKHOORWKYNBM-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 131.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1118.00
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide?

The IUPAC name of 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide (CID 164962608) is 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide.

What is the SMILES notation for 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide?

The canonical SMILES for 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide is Brc1cnn2ccccc12.C#Cc1cncc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c1.CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnn5ccccc45)c3)cc2C(F)(F)F)CC1.

What is the InChIKey of 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide?

The InChIKey is CAXKHOORWKYNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N6O.C21H21F3N4O.C7H5BrN2/c1-35-10-12-36(13-11-35)19-22-7-8-24(15-25(22)28(29,30)31)34-27(38)23-14-20(16-32-17-23)5-6-21-18-33-37-9-3-2-4-26(21)37;1-3-15-10-17(13-25-12-15)20(29)26-18-5-4-16(19(11-18)21(22,23)24)14-28-8-6-27(2)7-9-28;8-6-5-9-10-4-2-1-3-7(6)10/h2-4,7-9,14-18H,10-13,19H2,1H3,(H,34,38);1,4-5,10-13H,6-9,14H2,2H3,(H,26,29);1-5H.

What are the key properties of 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide?

3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide has a molecular weight of 1118.00 g/mol, XLogP of 9.33, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopyrazolo[1,5-a]pyridine;5-ethynyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)pyridine-3-carboxamide is sourced from PubChem (CID 164962608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).