formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C73H73F6N17O17 — CID 158911884

IUPACformic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCOCCn1cc(NC(=O)c2cccc(-c3ccco3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccoc3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/2C23H23N5O4.C22H23N7O3.2C2HF3O2.CH2O2/c1-30-14-15-31-13-11-28-16-20(22(27-28)18-6-2-3-10-24-18)26-23(29)19-8-4-7-17(25-19)21-9-5-12-32-21;1-30-13-14-31-12-10-28-15-21(22(27-28)19-5-2-3-9-24-19)26-23(29)20-7-4-6-18(25-20)17-8-11-32-16-17;1-31-11-12-32-10-9-29-15-20(21(28-29)18-5-2-3-8-23-18)27-22(30)19-7-4-6-17(26-19)16-13-24-25-14-16;2*3-2(4,5)1(6)7;2-1-3/h2-10,12,16H,11,13-15H2,1H3,(H,26,29);2-9,11,15-16H,10,12-14H2,1H3,(H,26,29);2-8,13-15H,9-12H2,1H3,(H,24,25)(H,27,30);2*(H,6,7);1H,(H,2,3)
InChIKeyJPEGDOWFIXKBFG-UHFFFAOYSA-N
MW1574.48 g/mol
LogP10.64
Rot. Bonds30

About formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158911884) has the molecular formula C73H73F6N17O17 and a molecular weight of 1574.48 g/mol. Its IUPAC name is formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameformic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID158911884
Molecular FormulaC73H73F6N17O17
Molecular Weight1574.48 g/mol
Exact Mass1573.53
IUPAC Nameformic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCOCCn1cc(NC(=O)c2cccc(-c3ccco3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccoc3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/2C23H23N5O4.C22H23N7O3.2C2HF3O2.CH2O2/c1-30-14-15-31-13-11-28-16-20(22(27-28)18-6-2-3-10-24-18)26-23(29)19-8-4-7-17(25-19)21-9-5-12-32-21;1-30-13-14-31-12-10-28-15-21(22(27-28)19-5-2-3-9-24-19)26-23(29)20-7-4-6-18(25-20)17-8-11-32-16-17;1-31-11-12-32-10-9-29-15-20(21(28-29)18-5-2-3-8-23-18)27-22(30)19-7-4-6-17(26-19)16-13-24-25-14-16;2*3-2(4,5)1(6)7;2-1-3/h2-10,12,16H,11,13-15H2,1H3,(H,26,29);2-9,11,15-16H,10,12-14H2,1H3,(H,26,29);2-8,13-15H,9-12H2,1H3,(H,24,25)(H,27,30);2*(H,6,7);1H,(H,2,3)
InChIKeyJPEGDOWFIXKBFG-UHFFFAOYSA-N
XLogP10.64
TPSA440.34 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001574.48
LogP ≤ 510.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

6-(5-aminopyridin-3-yl)-N-[3-[5-[[4-[[6-[5-(methylamino)pyridin-3-yl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]pyridin-2-yl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridine-2-carbonyl]amino]pyrazol-3-yl]pyridin-2-yl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 134453065
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157075936
bis(N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 157080892
N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide
CID 157488313
2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157491154
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;formic acid;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[6-(2-oxopropyl)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(2-phenylmethoxy-4-pyridinyl)pyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-pyridin-3-ylpyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 157596548
formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 157611001
2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-methoxy-N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methoxy-N-methyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;N,N,2-trimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
CID 157616973
7-cyclobutyloxy-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;(2R)-2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methoxy-N-methyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;N,N,2-trimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
CID 157641084
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(5,6-dimethoxy-3-pyridinyl)-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 157647827
2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157658304
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157738017

Frequently Asked Questions

What is the IUPAC name of formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 158911884) is formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is COCCOCCn1cc(NC(=O)c2cccc(-c3ccco3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccoc3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO.
What is the InChIKey of formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JPEGDOWFIXKBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N5O4.C22H23N7O3.2C2HF3O2.CH2O2/c1-30-14-15-31-13-11-28-16-20(22(27-28)18-6-2-3-10-24-18)26-23(29)19-8-4-7-17(25-19)21-9-5-12-32-21;1-30-13-14-31-12-10-28-15-21(22(27-28)19-5-2-3-9-24-19)26-23(29)20-7-4-6-18(25-20)17-8-11-32-16-17;1-31-11-12-32-10-9-29-15-20(21(28-29)18-5-2-3-8-23-18)27-22(30)19-7-4-6-17(26-19)16-13-24-25-14-16;2*3-2(4,5)1(6)7;2-1-3/h2-10,12,16H,11,13-15H2,1H3,(H,26,29);2-9,11,15-16H,10,12-14H2,1H3,(H,26,29);2-8,13-15H,9-12H2,1H3,(H,24,25)(H,27,30);2*(H,6,7);1H,(H,2,3).
What are the key properties of formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 1574.48 g/mol, XLogP of 10.64, 30 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158911884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).