5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione

C76H55F12N25O6 — CID 158240670

IUPAC5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione
SMILESN#Cc1ccc(N)cn1.N#Cc1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)cn1.N#Cc1ccc(NN)cn1.Nc1ccncc1.O=C(CC(=O)C(F)(F)F)c1cccnc1.O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.O=C(O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1
InChIInChI=1S/C20H13F3N6O.C15H10F3N5O.C15H9F3N4O2.C9H6F3NO2.C6H6N4.C6H5N3.C5H6N2/c21-20(22,23)18-10-17(13-2-1-7-25-11-13)28-29(18)15-3-4-16(26-12-15)19(30)27-14-5-8-24-9-6-14;16-15(17,18)14(24)6-13(10-2-1-5-20-8-10)22-23(14)12-4-3-11(7-19)21-9-12;16-15(17,18)13-6-12(9-2-1-5-19-7-9)21-22(13)10-3-4-11(14(23)24)20-8-10;10-9(11,12)8(15)4-7(14)6-2-1-3-13-5-6;7-3-5-1-2-6(10-8)4-9-5;7-3-6-2-1-5(8)4-9-6;6-5-1-3-7-4-2-5/h1-12H,(H,24,27,30);1-5,8-9,24H,6H2;1-8H,(H,23,24);1-3,5H,4H2;1-2,4,10H,8H2;1-2,4H,8H2;1-4H,(H2,6,7)
InChIKeyGFMPBDVJSCOLSU-UHFFFAOYSA-N
MW1642.42 g/mol
LogP12.48
Rot. Bonds13

About 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione

5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione (PubChem CID 158240670) has the molecular formula C76H55F12N25O6 and a molecular weight of 1642.42 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione.

Molecular Properties

Compound Name5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione
PubChem CID158240670
Molecular FormulaC76H55F12N25O6
Molecular Weight1642.42 g/mol
Exact Mass1641.46
IUPAC Name5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione
SMILESN#Cc1ccc(N)cn1.N#Cc1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)cn1.N#Cc1ccc(NN)cn1.Nc1ccncc1.O=C(CC(=O)C(F)(F)F)c1cccnc1.O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.O=C(O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1
InChIInChI=1S/C20H13F3N6O.C15H10F3N5O.C15H9F3N4O2.C9H6F3NO2.C6H6N4.C6H5N3.C5H6N2/c21-20(22,23)18-10-17(13-2-1-7-25-11-13)28-29(18)15-3-4-16(26-12-15)19(30)27-14-5-8-24-9-6-14;16-15(17,18)14(24)6-13(10-2-1-5-20-8-10)22-23(14)12-4-3-11(7-19)21-9-12;16-15(17,18)13-6-12(9-2-1-5-19-7-9)21-22(13)10-3-4-11(14(23)24)20-8-10;10-9(11,12)8(15)4-7(14)6-2-1-3-13-5-6;7-3-5-1-2-6(10-8)4-9-5;7-3-6-2-1-5(8)4-9-6;6-5-1-3-7-4-2-5/h1-12H,(H,24,27,30);1-5,8-9,24H,6H2;1-8H,(H,23,24);1-3,5H,4H2;1-2,4,10H,8H2;1-2,4H,8H2;1-4H,(H2,6,7)
InChIKeyGFMPBDVJSCOLSU-UHFFFAOYSA-N
XLogP12.48
TPSA475.26 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001642.42
LogP ≤ 512.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione with MolForge

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Related Compounds

3-(3-cyano-5-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 134609744
CID 157868921
CID 157868921
4-hydrazinylbenzoic acid;bis(4-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]benzoic acid);N-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid;4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 157874479
6-(5-carbamoyl-3-pyridinyl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;5-[6-[[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxylic acid;N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 160048613
Formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 164961693
2-(Oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 164967846
2-(3-Hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 165004566
tert-butyl N-[6-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridin-3-ylpyrazol-3-yl]pyridin-3-yl]carbamate;5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]-1-pyridin-3-ylpyrazole-3-carboxylic acid
CID 160356636
CID 157051948
CID 157051948
N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;methanol
CID 159069129
N-[(1S)-1-(2-carbamoyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid;hydroperoxymethane
CID 160776498
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide;3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 161469583

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione?
The IUPAC name of 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione (CID 158240670) is 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione.
What is the SMILES notation for 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione?
The canonical SMILES for 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione is N#Cc1ccc(N)cn1.N#Cc1ccc(N2N=C(c3cccnc3)CC2(O)C(F)(F)F)cn1.N#Cc1ccc(NN)cn1.Nc1ccncc1.O=C(CC(=O)C(F)(F)F)c1cccnc1.O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.O=C(O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1.
What is the InChIKey of 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione?
The InChIKey is GFMPBDVJSCOLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O.C15H10F3N5O.C15H9F3N4O2.C9H6F3NO2.C6H6N4.C6H5N3.C5H6N2/c21-20(22,23)18-10-17(13-2-1-7-25-11-13)28-29(18)15-3-4-16(26-12-15)19(30)27-14-5-8-24-9-6-14;16-15(17,18)14(24)6-13(10-2-1-5-20-8-10)22-23(14)12-4-3-11(7-19)21-9-12;16-15(17,18)13-6-12(9-2-1-5-19-7-9)21-22(13)10-3-4-11(14(23)24)20-8-10;10-9(11,12)8(15)4-7(14)6-2-1-3-13-5-6;7-3-5-1-2-6(10-8)4-9-5;7-3-6-2-1-5(8)4-9-6;6-5-1-3-7-4-2-5/h1-12H,(H,24,27,30);1-5,8-9,24H,6H2;1-8H,(H,23,24);1-3,5H,4H2;1-2,4,10H,8H2;1-2,4H,8H2;1-4H,(H2,6,7).
What are the key properties of 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione?
5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione has a molecular weight of 1642.42 g/mol, XLogP of 12.48, 13 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbonitrile;5-hydrazinylpyridine-2-carbonitrile;5-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-2-carbonitrile;pyridin-4-amine;N-pyridin-4-yl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboxylic acid;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione is sourced from PubChem (CID 158240670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).