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

C48H42BrF6N11O4 — CID 159889596

IUPAC3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
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(C)cn1
InChIInChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C8H10N2O/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;1-6-3-4-7(10-5-6)8(11)9-2/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;3-5H,1-2H3,(H,9,11)
InChIKeyNUOQZGHRDVQXAJ-UHFFFAOYSA-N
MW1030.83 g/mol
LogP9.37
Rot. Bonds9

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

3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 159889596) has the molecular formula C48H42BrF6N11O4 and a molecular weight of 1030.83 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID159889596
Molecular FormulaC48H42BrF6N11O4
Molecular Weight1030.83 g/mol
Exact Mass1029.25
IUPAC Name3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
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(C)cn1
InChIInChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C8H10N2O/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;1-6-3-4-7(10-5-6)8(11)9-2/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;3-5H,1-2H3,(H,9,11)
InChIKeyNUOQZGHRDVQXAJ-UHFFFAOYSA-N
XLogP9.37
TPSA172.09 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001030.83
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Related Compounds

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
US9718828, Example, 385
CID 71226223
US9796741, cmp No. 5
CID 118323584
US9796741, cmp No. 25
CID 118323746
US9796741, cmp No. 101
CID 118323747
1-(2-((1R,3S,5R)-3-(6-bromopyridin-2-ylcarbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)-5-((5-(trifluoromethyl)pyridin-2-yl)ethynyl)-1H-indazole-3-
CID 118333467
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 119098957
(S)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4,4-difluoropyrrolidine-2-carboxamide
CID 126622902
(2S,3S,4S)-3-acetamido-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-fluoropyrrolidine-2-carboxamide
CID 126623175
US11407738, Example 00343
CID 126623249
(2S,4R)-1-(2-(5-(2-acetamidopyrimidin-5-yl)-3-acetyl-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623314
(2S,4R)-1-(2-(3-acetyl-5-(2-(2-amino-2-oxoethyl) pyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623358

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,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 159889596) is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide 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(C)cn1.
What is the InChIKey of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is NUOQZGHRDVQXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C8H10N2O/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;1-6-3-4-7(10-5-6)8(11)9-2/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;3-5H,1-2H3,(H,9,11).
What are the key properties of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 1030.83 g/mol, XLogP of 9.37, 9 rotatable bonds, 2 hydrogen bond donors, and 11 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,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 159889596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).