3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid

C48H42BBrF6N10O6 — CID 159671176

IUPAC3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid
SMILESCCN(C(=O)c1ccn2ncc(-c3ccc(C(=O)NC)cc3)c2c1)c1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C(F)(F)F)cn1.CNC(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C8H10BNO3/c1-3-31(21-9-8-18(13-29-21)24(25,26)27)23(34)17-10-11-32-20(12-17)19(14-30-32)15-4-6-16(7-5-15)22(33)28-2;1-2-23(14-4-3-11(8-21-14)16(18,19)20)15(25)10-5-6-24-13(7-10)12(17)9-22-24;1-10-8(11)6-2-4-7(5-3-6)9(12)13/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;2-5,12-13H,1H3,(H,10,11)
InChIKeyMUABEIVPLVQVCQ-UHFFFAOYSA-N
MW1059.63 g/mol
LogP7.34
Rot. Bonds10

About 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid

3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid (PubChem CID 159671176) has the molecular formula C48H42BBrF6N10O6 and a molecular weight of 1059.63 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid
PubChem CID159671176
Molecular FormulaC48H42BBrF6N10O6
Molecular Weight1059.63 g/mol
Exact Mass1058.25
IUPAC Name3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid
SMILESCCN(C(=O)c1ccn2ncc(-c3ccc(C(=O)NC)cc3)c2c1)c1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C(F)(F)F)cn1.CNC(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C8H10BNO3/c1-3-31(21-9-8-18(13-29-21)24(25,26)27)23(34)17-10-11-32-20(12-17)19(14-30-32)15-4-6-16(7-5-15)22(33)28-2;1-2-23(14-4-3-11(8-21-14)16(18,19)20)15(25)10-5-6-24-13(7-10)12(17)9-22-24;1-10-8(11)6-2-4-7(5-3-6)9(12)13/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;2-5,12-13H,1H3,(H,10,11)
InChIKeyMUABEIVPLVQVCQ-UHFFFAOYSA-N
XLogP7.34
TPSA199.66 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001059.63
LogP ≤ 57.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid with MolForge

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Related Compounds

US9718828, Example, 385
CID 71226223
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 119098961
US20250074911, Example 119
CID 168934270
US20250074911, Example 85b
CID 168934290
US20250074911, Example 40
CID 168934351
US20250074911, Example 33
CID 168934373
US20250074911, Example 44
CID 168934392
US20250074911, Example 48
CID 168934444
US20250074911, Example 85a
CID 168934477
US20250074911, Example 115
CID 168934480
US20250074911, Example 141
CID 168934481
US20250074911, Example 1
CID 168934498

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
The IUPAC name of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid (CID 159671176) is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid.
What is the SMILES notation for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
The canonical SMILES for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid is CCN(C(=O)c1ccn2ncc(-c3ccc(C(=O)NC)cc3)c2c1)c1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C(F)(F)F)cn1.CNC(=O)c1ccc(B(O)O)cc1.
What is the InChIKey of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
The InChIKey is MUABEIVPLVQVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C8H10BNO3/c1-3-31(21-9-8-18(13-29-21)24(25,26)27)23(34)17-10-11-32-20(12-17)19(14-30-32)15-4-6-16(7-5-15)22(33)28-2;1-2-23(14-4-3-11(8-21-14)16(18,19)20)15(25)10-5-6-24-13(7-10)12(17)9-22-24;1-10-8(11)6-2-4-7(5-3-6)9(12)13/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;2-5,12-13H,1H3,(H,10,11).
What are the key properties of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid has a molecular weight of 1059.63 g/mol, XLogP of 7.34, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid is sourced from PubChem (CID 159671176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).