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

C49H43BrF6N10O4 — CID 159161118

IUPAC3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide;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)cc1
InChIInChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C9H11NO/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;1-7-3-5-8(6-4-7)9(11)10-2/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;3-6H,1-2H3,(H,10,11)
InChIKeyKKMMXUDKXOOQEA-UHFFFAOYSA-N
MW1029.84 g/mol
LogP9.97
Rot. Bonds9

About 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide;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,4-dimethylbenzamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 159161118) has the molecular formula C49H43BrF6N10O4 and a molecular weight of 1029.84 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide;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,4-dimethylbenzamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID159161118
Molecular FormulaC49H43BrF6N10O4
Molecular Weight1029.84 g/mol
Exact Mass1028.26
IUPAC Name3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide;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)cc1
InChIInChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C9H11NO/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;1-7-3-5-8(6-4-7)9(11)10-2/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;3-6H,1-2H3,(H,10,11)
InChIKeyKKMMXUDKXOOQEA-UHFFFAOYSA-N
XLogP9.97
TPSA159.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.84
LogP ≤ 59.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

US9718828, Example, 385
CID 71226223
US9718828, Example, 566
CID 71226306
US9718828, Example, 384
CID 90311497
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 119098954
[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
US10023570, Example 315
CID 124200038
US11084800, Cpd No. 97
CID 135317504
US11084800, Cpd No. 102
CID 135318564
US11084800, Cpd No. 306
CID 160523586
US11084800, Cpd No. 330
CID 161263317
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-pyrazolo[3,4-c]pyridin-1-yl)acetyl)-N-(3-((bis(3,3,3-trifluoro-propyl)amino)methyl)-6-bromopyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 163206323
(1R,3S,5R)-2-(2-(3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromo-3-methylpyridin-2-yl)-5-(((3-fluoro-propyl)amino)methyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168489517

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,4-dimethylbenzamide;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,4-dimethylbenzamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 159161118) is 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide;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,4-dimethylbenzamide;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,4-dimethylbenzamide;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)cc1.
What is the InChIKey of 3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is KKMMXUDKXOOQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2.C16H12BrF3N4O.C9H11NO/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;1-7-3-5-8(6-4-7)9(11)10-2/h4-14H,3H2,1-2H3,(H,28,33);3-9H,2H2,1H3;3-6H,1-2H3,(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,4-dimethylbenzamide;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,4-dimethylbenzamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 1029.84 g/mol, XLogP of 9.97, 9 rotatable bonds, 2 hydrogen bond donors, and 10 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,4-dimethylbenzamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 159161118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).